data_1mpe_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 1mpe _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 121.023 0.44 . . . . 1.51 111.434 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.6 123.57 35.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.614 -0.721 . . . . 2.0299999999999998 110.362 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -108.38 131.02 55.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.377 0.608 . . . . 0.72999999999999998 111.553 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -105.57 125.07 50.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.921 -1.036 . . . . 2.0800000000000001 110.509 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 t -142.43 123.94 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.015 0.436 . . . . 1.1899999999999999 111.141 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' B' ' 1' ' ' MET . 16.8 mt -92.94 117.42 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.851 -0.613 . . . . 1.1699999999999999 110.547 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 108.599 -0.889 . . . . 1.49 108.599 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t0 . . . . . 0 CA--C 1.516 -0.347 0 CA-C-O 121.325 0.583 . . . . 1.6499999999999999 111.067 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.21 -46.67 65.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.262 -0.881 . . . . 1.0900000000000001 110.805 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.18 -32.11 73.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.948 -0.569 . . . . 1.1499999999999999 110.729 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -64.44 -40.65 96.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.868 -0.606 . . . . 1.1100000000000001 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.441 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 10.8 t80 -65.59 -50.99 63.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.932 -0.576 . . . . 0.46000000000000002 110.626 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 62.8 mt-10 -54.75 -49.83 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 2.0499999999999998 111.033 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -66.01 -53.17 42.01 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.32 0.489 . . . . 2.2999999999999998 112.32 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 63.8 t -64.08 -45.03 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 112.182 0.438 . . . . 1.0800000000000001 112.182 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 26' ' ' PHE . 44.4 t -68.59 -41.21 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 1.0800000000000001 111.247 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 77.7 tttt -70.69 -46.49 63.04 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.76 -0.376 . . . . 1.8500000000000001 110.581 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -63.79 -42.36 97.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.527 -0.306 . . . . 2.0699999999999998 111.122 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.481 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 4.7 t80 -64.23 -46.57 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.531 0.567 . . . . 0.32000000000000001 112.531 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.485 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 36.4 m-85 -78.52 -29.96 46.8 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.055 0.761 . . . . 0.85999999999999999 113.055 -178.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 1.1 m-80 -55.34 -30.7 60.77 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.407 0.622 . . . . 0.32000000000000001 110.752 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -59.48 -17.44 31.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.927 -1.033 . . . . 1.1899999999999999 112.022 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 34' ' ' PHE . 13.2 p30 -111.04 -2.39 15.92 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.973 0.731 . . . . 1.6299999999999999 112.973 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.32 51.56 1.13 Allowed Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.003 -1.094 . . . . 0.27000000000000002 113.756 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.0 t -126.31 139.43 51.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.535 -0.913 . . . . 1.0800000000000001 108.535 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -150.94 -174.47 4.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.406 0.622 . . . . 1.3100000000000001 111.525 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.05 -145.61 18.2 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.068 -0.969 . . . . 0.25 112.357 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -148.56 155.16 40.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.095 0.474 . . . . 1.5800000000000001 111.29 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.438 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 94.3 m95 -74.05 114.19 12.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.787 -0.642 . . . . 0.39000000000000001 110.788 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.6 p -106.93 143.13 35.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.872 -0.604 . . . . 1.05 110.707 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.38 140.57 50.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.557 -0.747 . . . . 0.91000000000000003 110.551 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.05 160.93 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 1.1399999999999999 110.589 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.29 131.75 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 2.2599999999999998 111.299 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.49 140.34 34.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.186 -0.461 . . . . 1.0800000000000001 111.473 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 m -137.26 150.04 47.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.89 -0.596 . . . . 1.0700000000000001 110.817 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -117.85 137.95 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.986 0.422 . . . . 1.3700000000000001 110.581 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.2 m -125.95 133.74 51.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 1.0800000000000001 110.387 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -80.67 121.94 26.48 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.818 0.342 . . . . 0.40000000000000002 111.616 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.6 m -99.56 123.33 43.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.196 -0.457 . . . . 1.0700000000000001 110.231 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.5 t -69.52 156.39 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.009 0.433 . . . . 1.0900000000000001 110.816 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.4 m -152.49 -71.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.851 -0.613 . . . . 1.1200000000000001 111.114 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.245 -0.883 . . . . 4.3700000000000001 110.915 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.446 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 121.135 0.493 . . . . 1.51 111.303 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.82 123.71 35.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.518 -0.765 . . . . 2.02 110.358 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -108.44 131.17 55.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.442 0.639 . . . . 0.72999999999999998 111.575 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -105.79 124.93 50.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.926 -1.034 . . . . 2.0800000000000001 110.642 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.5 t -142.29 123.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.054 0.454 . . . . 1.1899999999999999 111.334 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 1' ' ' MET . 17.4 mt -92.81 117.49 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.594 . . . . 1.1799999999999999 110.594 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.71 -0.848 . . . . 1.49 108.71 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 t0 . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 121.18 0.514 . . . . 1.6499999999999999 109.637 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.97 -46.54 64.86 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.604 -0.725 . . . . 1.0900000000000001 111.002 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -31.15 71.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 1.1399999999999999 110.772 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 74.7 m -64.34 -40.67 96.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.964 -0.562 . . . . 1.1100000000000001 110.85 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.448 ' O ' ' CG2' ' B' ' 30' ' ' VAL . 10.4 t80 -65.92 -50.42 64.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.759 -0.655 . . . . 0.46000000000000002 110.691 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.425 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 62.9 mt-10 -55.25 -49.38 72.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 2.04 110.915 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.24 -52.98 42.42 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.345 0.498 . . . . 2.2999999999999998 112.345 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.498 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 61.7 t -64.15 -45.24 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 112.076 0.398 . . . . 1.0700000000000001 112.076 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' B' ' 26' ' ' PHE . 42.8 t -68.38 -41.54 83.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.05 -0.523 . . . . 1.0800000000000001 111.349 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.436 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 77.4 tttt -70.62 -46.26 63.68 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.802 -0.359 . . . . 1.8500000000000001 110.469 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -64.14 -42.89 96.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 2.0699999999999998 111.304 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.498 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 4.6 t80 -63.47 -46.88 84.13 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.657 0.614 . . . . 0.32000000000000001 112.657 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.468 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 34.8 m-85 -77.9 -31.37 51.16 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.968 0.729 . . . . 0.85999999999999999 112.968 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 1.1 m120 -53.57 -32.54 51.29 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.191 0.52 . . . . 0.32000000000000001 110.781 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -58.21 -17.24 17.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 1.1899999999999999 112.178 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 34' ' ' PHE . 14.1 p30 -110.18 -3.35 16.38 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.849 0.685 . . . . 1.6200000000000001 112.849 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.92 49.72 1.23 Allowed Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.198 -1.001 . . . . 0.27000000000000002 113.464 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.17 137.54 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 108.672 -0.862 . . . . 1.0800000000000001 108.672 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -149.91 -174.97 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.302 0.572 . . . . 1.3 111.781 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.55 -145.49 16.94 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.132 -0.94 . . . . 0.25 112.171 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -148.58 154.74 40.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.847 0.356 . . . . 1.5700000000000001 111.132 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 94.0 m95 -73.8 115.39 13.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.39000000000000001 110.845 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -108.06 142.94 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.848 -0.615 . . . . 1.05 110.506 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.15 140.93 50.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.464 -0.789 . . . . 0.91000000000000003 110.697 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.36 160.9 31.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 1.1399999999999999 110.585 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.19 131.93 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.36 . . . . 2.2599999999999998 111.161 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.67 140.85 34.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.46 . . . . 1.0700000000000001 111.416 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -137.71 150.06 47.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 1.0700000000000001 110.806 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -117.86 138.17 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.034 0.445 . . . . 1.3700000000000001 110.614 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 21.7 m -126.18 133.81 51.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.839 -0.619 . . . . 1.0800000000000001 110.363 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -80.79 122.07 26.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.827 0.346 . . . . 0.40000000000000002 111.661 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 41.7 m -99.61 123.52 43.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.213 -0.449 . . . . 1.0700000000000001 110.198 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.5 t -69.61 156.68 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 1.0900000000000001 110.873 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.7 m -152.78 -71.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.933 -0.576 . . . . 1.1200000000000001 111.105 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.292 -0.861 . . . . 4.3600000000000003 110.935 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.484 ' O ' ' HA ' ' D' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.053 0.454 . . . . 1.51 111.089 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -91.36 124.24 35.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.699 -0.682 . . . . 2.0299999999999998 110.321 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -109.22 131.14 55.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.465 0.65 . . . . 0.72999999999999998 111.573 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -105.69 124.97 50.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.754 -1.112 . . . . 2.0800000000000001 110.568 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 17.9 t -142.29 124.19 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.0 0.429 . . . . 1.1899999999999999 111.268 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' D' ' 1' ' ' MET . 16.2 mt -92.98 117.59 36.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.873 -0.603 . . . . 1.1799999999999999 110.763 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 108.607 -0.886 . . . . 1.49 108.607 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t0 . . . . . 0 CA--C 1.517 -0.313 0 CA-C-O 121.257 0.551 . . . . 1.6499999999999999 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -46.76 63.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.429 -0.805 . . . . 1.0900000000000001 110.809 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.42 -31.58 72.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.963 -0.562 . . . . 1.1399999999999999 110.775 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 96.3 m -64.44 -40.67 96.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 1.1100000000000001 110.824 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.445 ' O ' ' CG2' ' C' ' 30' ' ' VAL . 10.7 t80 -65.62 -50.88 63.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.46000000000000002 110.68 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.427 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 62.9 mt-10 -54.91 -49.39 71.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 2.0499999999999998 110.995 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.47 -52.75 42.93 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.298 0.481 . . . . 2.29 112.298 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 61.8 t -64.3 -45.4 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.062 0.393 . . . . 1.0700000000000001 112.062 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' C' ' 26' ' ' PHE . 43.6 t -68.32 -40.76 82.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.033 -0.531 . . . . 1.0800000000000001 111.338 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . 0.448 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 77.5 tttt -71.24 -46.14 61.69 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.789 -0.364 . . . . 1.8500000000000001 110.483 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -64.54 -42.49 95.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 2.0699999999999998 111.378 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.497 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 4.5 t80 -63.68 -46.91 83.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.668 0.618 . . . . 0.32000000000000001 112.668 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.476 ' O ' ' ND2' ' C' ' 37' ' ' ASN . 32.3 m-85 -78.17 -30.92 49.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.865 0.691 . . . . 0.85999999999999999 112.865 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 1.1 m120 -53.78 -32.55 52.86 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.217 0.532 . . . . 0.32000000000000001 110.842 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -58.31 -17.24 18.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.46 -0.791 . . . . 1.1799999999999999 112.123 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' C' ' 34' ' ' PHE . 14.2 p30 -110.16 -2.87 16.66 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.833 0.679 . . . . 1.6200000000000001 112.833 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.49 49.34 1.31 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.213 -0.994 . . . . 0.27000000000000002 113.566 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -124.4 137.76 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 108.664 -0.865 . . . . 1.0900000000000001 108.664 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -150.1 -175.11 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.323 0.583 . . . . 1.3 111.74 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.34 -145.33 17.01 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.107 -0.951 . . . . 0.25 112.095 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -148.81 154.81 40.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.393 . . . . 1.5700000000000001 111.199 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . 0.427 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 94.4 m95 -73.55 115.21 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.861 -0.609 . . . . 0.39000000000000001 110.856 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -108.12 142.64 38.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.86 -0.609 . . . . 1.05 110.524 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.99 140.89 50.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.568 -0.742 . . . . 0.91000000000000003 110.681 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.3 160.77 32.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 1.1399999999999999 110.536 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.19 131.62 46.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 2.2599999999999998 111.222 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.38 140.48 33.57 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.206 -0.452 . . . . 1.0700000000000001 111.519 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -137.48 149.99 47.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.915 -0.584 . . . . 1.0700000000000001 110.841 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -117.56 138.23 52.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 1.3700000000000001 110.607 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 21.4 m -126.25 133.48 51.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.858 -0.61 . . . . 1.0800000000000001 110.417 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -80.58 121.85 26.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.845 0.355 . . . . 0.39000000000000001 111.621 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 42.6 m -99.36 123.88 44.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.148 -0.478 . . . . 1.0700000000000001 110.194 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 19.5 t -70.09 156.27 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.021 0.439 . . . . 1.0900000000000001 110.837 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 40.8 m -151.99 -72.8 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.781 -0.645 . . . . 1.1200000000000001 111.12 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.158 -0.925 . . . . 4.3700000000000001 110.901 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 1' ' ' MET . . . . . 0.449 ' O ' ' HA ' ' C' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.916 0.389 . . . . 1.51 111.339 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -91.58 124.38 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.857 -0.61 . . . . 2.0299999999999998 110.347 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.403 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.6 m-85 -109.11 131.03 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.534 0.683 . . . . 0.73999999999999999 111.546 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -106.0 124.76 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.614 -1.175 . . . . 2.0699999999999998 110.393 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -142.24 123.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.019 0.437 . . . . 1.1899999999999999 111.022 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' C' ' 1' ' ' MET . 15.6 mt -92.96 117.45 36.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.819 -0.628 . . . . 1.1799999999999999 110.618 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' C' ' 1' ' ' MET . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.543 0 N-CA-C 108.238 -1.023 . . . . 1.49 108.238 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 121.262 0.553 . . . . 1.6499999999999999 110.761 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.7 -47.07 64.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.475 -0.784 . . . . 1.0900000000000001 110.876 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.02 -31.72 72.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 1.1499999999999999 110.697 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 99.8 m -64.02 -40.96 97.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.013 -0.54 . . . . 1.1100000000000001 110.887 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.438 ' O ' ' CG2' ' D' ' 30' ' ' VAL . 10.4 t80 -65.93 -50.71 63.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.46000000000000002 110.615 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . 0.425 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 62.7 mt-10 -55.03 -49.45 71.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.389 -0.369 . . . . 2.0499999999999998 110.955 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.33 -53.03 41.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.338 0.496 . . . . 2.2999999999999998 112.338 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 62.1 t -64.17 -45.47 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 N-CA-C 112.095 0.406 . . . . 1.0700000000000001 112.095 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' D' ' 26' ' ' PHE . 43.4 t -68.11 -41.2 84.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.021 -0.536 . . . . 1.0800000000000001 111.402 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 77.5 tttt -71.02 -45.91 63.11 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.802 -0.359 . . . . 1.8500000000000001 110.496 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -64.49 -42.89 95.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.762 0.315 . . . . 2.0699999999999998 111.344 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.493 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 4.4 t80 -63.54 -47.09 83.04 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.641 0.608 . . . . 0.32000000000000001 112.641 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.468 ' O ' ' ND2' ' D' ' 37' ' ' ASN . 32.8 m-85 -77.76 -30.56 51.58 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.08 0.77 . . . . 0.85999999999999999 113.08 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 1.1 m120 -54.32 -32.39 56.46 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.212 0.53 . . . . 0.32000000000000001 110.783 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -58.41 -17.2 18.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 1.1799999999999999 112.084 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' D' ' 34' ' ' PHE . 14.2 p30 -110.2 -2.71 16.7 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.839 0.681 . . . . 1.6299999999999999 112.839 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.24 48.5 1.43 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.168 -1.015 . . . . 0.27000000000000002 113.708 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 61.7 t -123.31 138.38 53.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 108.582 -0.896 . . . . 1.0900000000000001 108.582 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -150.57 -174.99 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.201 -0.6 . . . . 1.3 111.698 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.95 -145.61 17.28 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.165 -0.925 . . . . 0.25 112.239 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.53 154.27 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 1.5800000000000001 111.212 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 94.0 m95 -73.2 115.36 12.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.894 -0.594 . . . . 0.39000000000000001 110.919 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -108.29 142.48 38.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.819 -0.628 . . . . 1.05 110.476 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.73 141.04 51.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.566 -0.743 . . . . 0.90000000000000002 110.717 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.35 160.74 32.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.1399999999999999 110.534 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.25 131.14 45.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 2.2599999999999998 111.315 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.09 139.97 33.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.25 -0.432 . . . . 1.0700000000000001 111.623 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -136.97 150.05 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 1.0700000000000001 110.811 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -117.65 138.29 52.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.0 0.429 . . . . 1.3799999999999999 110.585 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 22.2 m -126.44 133.29 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.863 -0.608 . . . . 1.0800000000000001 110.456 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -80.19 121.98 26.26 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.794 0.33 . . . . 0.39000000000000001 111.648 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 46.4 m -99.59 123.82 44.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 1.0600000000000001 110.224 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 19.6 t -69.83 156.75 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 1.0900000000000001 110.909 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 35.3 m -152.77 -71.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 1.1200000000000001 111.086 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.202 -0.904 . . . . 4.3700000000000001 110.939 -179.842 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.934 0.397 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -89.58 124.24 34.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 35.6 m-85 -108.8 128.58 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.24 0.543 . . . . 0.0 111.925 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -106.74 125.31 50.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.41 122.04 9.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' B' ' 1' ' ' MET . 21.1 mt -92.97 117.27 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.433 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' A' ' 25' ' ' THR . 4.7 m-20 . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 121.288 0.566 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.4 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.955 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -30.25 69.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 51.4 m -61.73 -38.12 86.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.393 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' B' ' 3' ' ' TYR . 25.3 t80 -68.26 -52.69 31.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.797 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 20.0 mt-10 -51.73 -54.41 28.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.909 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -65.75 -51.41 59.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.01 -41.3 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.19 -45.1 77.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -64.06 -44.98 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.975 0.417 . . . . 0.0 110.566 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.32 -45.75 89.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.025 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.3 t80 -67.29 -46.9 72.21 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.531 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 38.6 m-85 -74.89 -33.27 62.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -30.94 62.1 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.975 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -61.37 -18.09 57.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.093 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -105.44 -19.7 13.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.29 15.12 2.08 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.052 -1.071 . . . . 0.0 114.046 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -89.3 143.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 117.306 0.553 . . . . 0.0 110.872 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -156.28 -177.78 6.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.871 0.367 . . . . 0.0 111.244 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.08 -145.02 18.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.262 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -148.74 156.23 42.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 96.0 m95 -72.96 119.47 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.387 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -113.97 141.5 47.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.547 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.76 143.78 51.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.881 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.65 160.47 32.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -65.85 127.84 33.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.85 142.66 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.107 0.48 . . . . 0.0 111.977 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 m -137.49 156.27 48.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.467 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -127.84 122.26 32.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.015 0.436 . . . . 0.0 111.253 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -107.45 134.1 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.568 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -81.4 116.03 21.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.239 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -89.97 124.43 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.671 0.272 . . . . 0.0 110.544 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.44 155.92 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.103 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -148.46 -67.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.98 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.407 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.886 0.374 . . . . 0.0 111.196 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -89.58 124.2 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.712 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 35.7 m-85 -108.76 128.67 55.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.255 0.55 . . . . 0.0 111.958 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -106.79 125.19 50.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.33 122.08 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 1' ' ' MET . 21.4 mt -92.98 117.26 35.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.439 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.1 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' B' ' 25' ' ' THR . 4.7 m-20 . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 121.352 0.596 . . . . 0.0 111.689 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.98 -42.42 60.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.014 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.12 -30.37 69.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 50.6 m -61.67 -38.08 86.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 25.6 t80 -68.29 -52.62 31.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.412 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 21.6 mt-10 -51.86 -54.33 30.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.885 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -65.66 -51.51 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.96 -41.3 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.2 -45.07 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -64.09 -45.01 90.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 110.52 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -63.25 -45.73 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.13 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.3 t80 -67.21 -46.93 72.38 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.526 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 38.3 m-85 -74.88 -33.34 62.05 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.71 -30.89 61.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.967 0.413 . . . . 0.0 110.994 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.38 -18.08 57.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.093 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -105.58 -19.41 13.78 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.93 15.34 2.13 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.068 -1.063 . . . . 0.0 114.023 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 23.1 t -89.42 143.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 117.279 0.54 . . . . 0.0 110.852 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -156.49 -178.3 7.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.61 -144.95 18.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.243 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -148.73 156.15 41.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.412 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 96.0 m95 -73.02 119.3 17.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.374 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.3 p -113.77 141.43 47.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.544 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.66 143.72 51.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.854 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.55 160.49 32.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -65.84 127.57 32.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.73 142.86 27.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.962 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 24.0 m -137.76 156.37 48.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.547 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -127.75 122.27 32.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.005 0.431 . . . . 0.0 111.33 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -107.37 134.09 50.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.559 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -81.43 116.11 21.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.24 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.7 m -89.94 124.6 34.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.696 0.284 . . . . 0.0 110.594 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.53 155.95 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 111.061 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.7 m -148.59 -67.72 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.007 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -89.31 124.18 34.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.664 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.435 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 35.6 m-85 -108.8 128.66 55.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.298 0.571 . . . . 0.0 111.959 -179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -106.8 125.29 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.019 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.33 122.04 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 21.5 mt -92.95 117.25 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.405 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' C' ' 25' ' ' THR . 4.1 m-20 . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 121.146 0.498 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.71 -42.16 56.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.915 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.45 -30.25 69.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.128 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 50.7 m -61.76 -38.2 87.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.332 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 25.1 t80 -68.18 -52.67 31.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.759 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.412 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 20.7 mt-10 -51.8 -54.37 29.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.907 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -65.71 -51.42 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.07 -41.36 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.26 -44.85 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -64.16 -45.02 90.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.002 0.43 . . . . 0.0 110.573 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.33 -45.8 89.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.008 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.3 t80 -67.23 -46.96 72.22 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.526 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 38.4 m-85 -74.87 -33.21 62.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -30.89 62.33 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.875 0.369 . . . . 0.0 110.964 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.4 -18.06 57.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.04 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -105.59 -19.7 13.69 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.39 15.08 2.07 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.1 -1.048 . . . . 0.0 114.056 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -89.4 143.26 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.309 0.554 . . . . 0.0 110.893 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -156.42 -178.38 7.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 111.232 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.69 -145.0 18.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.213 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -148.67 156.11 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.001 0.429 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . 0.412 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 96.0 m95 -72.91 119.57 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.369 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -113.99 141.44 47.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.583 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.78 143.73 51.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.848 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.6 160.42 32.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.89 127.87 33.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.12 142.99 28.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.096 0.474 . . . . 0.0 112.121 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 22.4 m -137.67 156.31 48.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.502 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -127.74 122.25 32.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.414 . . . . 0.0 111.188 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -107.38 134.11 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.647 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.42 116.05 21.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.18 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -89.93 124.6 34.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.701 0.286 . . . . 0.0 110.498 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.47 156.04 7.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 111.025 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -148.54 -67.78 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.976 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -89.47 124.07 34.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.693 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.429 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 35.8 m-85 -108.69 128.67 55.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.179 0.514 . . . . 0.0 111.951 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -106.77 125.27 50.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.38 122.06 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 21.0 mt -92.96 117.22 35.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.431 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.055 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.456 ' O ' ' HB ' ' D' ' 25' ' ' THR . 4.7 m-20 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 121.349 0.595 . . . . 0.0 111.694 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.86 -42.28 58.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.018 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.34 69.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.085 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 51.2 m -61.74 -38.22 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.32 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' C' ' 3' ' ' TYR . 24.8 t80 -68.14 -52.81 30.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.753 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 20.1 mt-10 -51.66 -54.41 28.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.906 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -65.71 -51.49 58.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.97 -41.32 92.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -70.18 -45.1 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -64.14 -44.98 90.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.485 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.39 -45.7 89.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.031 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.515 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.3 t80 -67.16 -47.03 72.23 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.515 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 38.4 m-85 -74.87 -33.23 62.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.88 -30.85 62.2 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.958 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.43 -18.04 57.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.025 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -105.5 -19.75 13.69 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.3 15.19 2.07 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.052 -1.07 . . . . 0.0 114.047 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 t -89.42 143.24 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.297 0.549 . . . . 0.0 110.858 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -156.48 -178.2 7.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.005 0.431 . . . . 0.0 111.161 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.56 -144.99 18.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.221 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -148.64 156.07 41.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . 0.414 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 96.0 m95 -72.95 119.39 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.378 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 68.1 p -113.87 141.45 47.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.572 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -70.75 143.74 51.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.87 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.61 160.44 32.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -65.9 127.97 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.621 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.01 142.56 29.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.134 0.492 . . . . 0.0 112.036 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -137.46 156.34 48.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.508 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -127.81 122.2 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 111.241 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -107.32 134.12 50.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.38 115.94 20.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.212 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -89.87 124.5 34.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.716 0.293 . . . . 0.0 110.484 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.49 156.14 7.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.059 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -148.53 -67.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.957 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.761 0.315 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -89.38 123.79 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.705 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.426 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 39.8 m-85 -110.12 132.33 54.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.352 0.596 . . . . 0.0 112.293 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -106.28 130.76 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.841 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.73 128.11 16.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.269 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -96.67 123.62 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.416 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.418 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 2.3 mp . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 120.68 0.276 . . . . 0.0 110.534 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.8 t70 . . . . . 0 CA--C 1.52 -0.204 0 CA-C-O 121.379 0.609 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.21 -42.33 39.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.388 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -29.7 68.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.174 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 78.8 m -62.14 -40.22 95.23 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.049 0.452 . . . . 0.0 110.42 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CD2' ' CD1' ' B' ' 3' ' ' TYR . 19.3 t80 -66.54 -47.22 73.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.948 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.04 -51.7 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.955 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -66.61 -50.24 63.65 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.8 -41.7 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.4 t -72.7 -44.54 59.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.03 -46.39 87.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.774 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -64.35 -44.73 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.561 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.7 t80 -67.7 -46.49 72.1 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.504 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 39.4 m-85 -74.87 -32.13 61.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -29.89 62.62 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.73 -17.82 57.34 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.035 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -106.6 -20.24 13.42 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.7 14.67 1.87 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.249 -0.977 . . . . 0.0 114.305 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.2 t -88.96 143.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.616 0.708 . . . . 0.0 110.679 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -154.45 -178.19 6.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.094 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.08 -143.47 17.97 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.406 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -151.88 158.98 43.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -74.07 118.58 17.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -111.15 141.58 44.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.373 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.87 143.73 52.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.089 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 159.21 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -66.72 129.97 41.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.343 . . . . 0.0 110.747 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.37 143.48 34.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.917 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -138.36 156.52 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.484 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -124.41 119.22 28.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.024 0.44 . . . . 0.0 111.44 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -105.83 133.02 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.21 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -80.85 115.99 20.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.4 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.3 m -94.1 124.04 37.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.31 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.39 154.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 111.416 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.4 m -140.24 -77.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.933 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.721 0.296 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.07 123.67 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.806 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.43 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 39.7 m-85 -110.04 132.05 54.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.284 0.564 . . . . 0.0 112.299 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -106.13 130.99 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.867 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.75 128.04 16.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.284 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mt -96.63 123.41 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.35 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.413 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 2.1 mp . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.462 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' B' ' 25' ' ' THR . 13.7 t70 . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 121.269 0.557 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.18 -42.27 39.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.348 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.8 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.177 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 83.9 m -62.09 -40.08 94.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 19.4 t80 -66.71 -47.08 73.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.934 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.03 -51.7 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.917 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -66.79 -50.09 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.84 -41.64 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.7 -44.6 59.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.0 -46.36 88.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.001 0.429 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.44 -44.66 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.498 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.497 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.7 t80 -67.71 -46.58 71.8 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.497 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 39.4 m-85 -74.92 -32.09 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -29.93 62.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.986 0.422 . . . . 0.0 111.005 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.77 -17.73 57.12 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.026 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -106.68 -20.34 13.38 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.78 14.73 1.84 Allowed Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.225 -0.988 . . . . 0.0 114.252 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 t -89.1 143.27 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 117.654 0.727 . . . . 0.0 110.703 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -154.44 -178.02 6.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 111.019 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.02 -143.76 18.04 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.453 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -151.54 158.73 43.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -73.88 118.75 17.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.351 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 62.9 p -111.27 141.56 44.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.344 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -69.82 143.65 52.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.023 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.42 159.22 34.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.68 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -66.76 130.1 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 143.3 36.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 111.886 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 21.3 m -138.32 156.58 47.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.346 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -124.32 119.38 29.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.999 0.428 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 38.7 m -105.98 132.92 51.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.142 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -80.97 115.97 20.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.348 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 62.5 m -94.02 123.88 37.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.238 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.43 155.06 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.946 0.403 . . . . 0.0 111.323 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.4 m -140.19 -77.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.129 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.41 123.81 33.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.423 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 39.8 m-85 -110.0 132.22 54.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.302 0.572 . . . . 0.0 112.29 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -106.24 130.88 54.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.914 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -142.77 128.22 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.375 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.5 mt -97.01 123.69 49.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.395 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.405 HD12 ' CZ ' ' D' ' 34' ' ' PHE . 2.3 mp . . . . . 0 CA--C 1.529 0.17 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.418 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.5 t70 . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 121.456 0.646 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.34 -42.22 41.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.371 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.82 -29.76 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.164 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 78.7 m -62.15 -40.16 95.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.5 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.42 ' CD2' ' CD1' ' D' ' 3' ' ' TYR . 19.4 t80 -66.58 -47.26 73.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.985 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.97 -51.65 68.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.009 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -66.69 -50.02 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.75 -41.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.63 -44.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.0 -46.4 87.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 0.0 110.768 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.38 -44.66 90.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.495 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.7 t80 -67.83 -46.43 71.84 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 39.6 m-85 -74.92 -32.04 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -29.98 62.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.021 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.79 -17.81 57.54 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.039 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -106.62 -20.3 13.4 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.7 14.65 1.87 Allowed Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.213 -0.994 . . . . 0.0 114.343 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 26.3 t -88.96 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 117.613 0.707 . . . . 0.0 110.777 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -154.49 -178.09 6.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 111.155 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.07 -143.49 17.97 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.433 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -151.7 158.92 44.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 111.199 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -74.09 118.58 17.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.308 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 64.0 p -111.21 141.67 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.379 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -70.03 143.68 52.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.044 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 159.31 34.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.677 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.86 130.1 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 143.0 34.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.064 0.459 . . . . 0.0 111.986 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 20.1 m -138.19 156.58 47.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.356 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -124.68 119.4 28.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 0.0 111.299 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 39.4 m -105.9 133.02 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.169 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -80.96 115.95 20.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.363 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 71.8 m -93.99 124.16 37.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.313 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 t -71.74 155.2 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 111.381 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 87.9 m -140.52 -77.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.084 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.926 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.48 123.68 33.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.73 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.42 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 40.1 m-85 -109.97 132.14 54.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.288 0.566 . . . . 0.0 112.269 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -106.22 130.99 53.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.807 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -142.73 128.08 16.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.287 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.7 mt -96.82 123.65 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.424 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.416 HD12 ' CZ ' ' C' ' 34' ' ' PHE . 2.3 mp . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.378 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.9 t70 . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 121.318 0.58 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.09 -42.29 38.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.327 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.84 69.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.169 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 82.6 m -62.08 -40.1 94.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.452 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.423 ' CD2' ' CD1' ' C' ' 3' ' ' TYR . 19.5 t80 -66.54 -47.42 72.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.949 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.93 -51.61 68.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.955 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -66.6 -50.36 63.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.73 -41.63 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.6 -44.93 59.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -62.83 -46.42 88.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.967 0.413 . . . . 0.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.26 -44.79 90.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.544 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.7 t80 -67.76 -46.46 71.98 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.504 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 39.1 m-85 -74.9 -32.16 61.74 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -29.96 62.53 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.965 178.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.83 -17.74 57.45 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.011 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -106.56 -20.36 13.39 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.71 14.67 1.86 Allowed Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.248 -0.977 . . . . 0.0 114.269 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 26.0 t -89.04 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 117.607 0.704 . . . . 0.0 110.747 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -154.51 -177.95 6.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.881 0.372 . . . . 0.0 111.037 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.95 -143.63 17.99 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.466 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -151.65 158.81 43.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.102 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -73.95 118.73 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.323 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 59.5 p -111.19 141.61 44.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.308 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -69.98 143.76 52.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.3 159.16 34.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.7 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.63 130.17 42.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.4 143.0 36.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.458 . . . . 0.0 111.908 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -138.13 156.53 47.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.41 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -124.49 119.68 29.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.0 111.393 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 36.9 m -106.34 133.08 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.154 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -80.97 116.01 20.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.442 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 61.7 m -94.02 124.12 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.28 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.69 155.06 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 111.355 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -140.31 -77.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.128 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.894 179.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.45 125.22 35.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.801 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.471 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 37.4 m-85 -108.26 127.08 53.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.22 0.533 . . . . 0.0 112.17 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -106.81 124.79 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.2 125.02 14.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.7 mt -94.67 117.2 37.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.465 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.979 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 . . . . . 0 CA--C 1.521 -0.159 0 CA-C-O 121.311 0.576 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.21 -43.23 64.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.302 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.34 75.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.078 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 m -63.05 -39.56 95.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.308 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' B' ' 3' ' ' TYR . 79.1 t80 -64.79 -53.01 53.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.974 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -53.7 -49.24 68.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.866 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -66.81 -48.67 68.23 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 70.7 t -63.69 -42.2 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.82 -45.1 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.041 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -64.17 -45.41 88.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.94 -41.35 95.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.4 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.413 ' CE2' ' CZ ' ' A' ' 34' ' ' PHE . 3.8 t80 -68.39 -48.39 64.83 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.413 ' CZ ' ' CE2' ' A' ' 33' ' ' PHE . 28.9 m-85 -78.03 -31.24 50.33 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -29.22 44.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.014 0.435 . . . . 0.0 111.062 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -61.24 -17.15 51.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.118 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -103.84 -17.82 14.89 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.11 16.3 2.18 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.258 -0.972 . . . . 0.0 113.919 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.14 143.1 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.174 0.487 . . . . 0.0 111.103 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.24 -179.74 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.112 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.51 -144.78 17.76 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.408 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -149.82 157.17 42.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -72.92 120.53 18.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.0 p -114.63 139.11 49.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.18 144.45 50.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.486 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.48 157.0 38.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.64 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.1 136.31 54.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.2 140.82 43.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.642 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -136.47 156.44 48.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -117.79 148.08 42.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.5 m -142.12 131.2 23.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.293 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.6 117.99 22.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.37 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -92.59 124.37 36.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.94 155.42 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.965 0.412 . . . . 0.0 111.156 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.8 m -147.73 -68.48 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.938 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.839 0.352 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -90.34 125.3 35.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.473 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 37.4 m-85 -108.36 127.16 53.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.254 0.549 . . . . 0.0 112.137 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -106.77 124.77 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.95 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -142.17 124.76 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -94.45 117.17 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.531 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.407 HD12 ' CD1' ' B' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.898 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.281 0.562 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.15 -43.42 64.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.215 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.28 75.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.032 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 18.5 m -63.11 -39.37 94.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.34 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.471 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 78.7 t80 -64.99 -53.03 52.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.877 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -53.75 -49.06 69.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.877 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -66.95 -48.71 67.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 71.2 t -63.51 -42.33 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 49.5 t -69.89 -44.82 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.105 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -64.35 -45.42 87.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.987 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -65.01 -41.29 95.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.466 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.424 ' CE2' ' CZ ' ' B' ' 34' ' ' PHE . 3.8 t80 -68.41 -48.37 64.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.424 ' CZ ' ' CE2' ' B' ' 33' ' ' PHE . 28.7 m-85 -78.05 -31.08 50.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.31 -29.1 46.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.964 0.412 . . . . 0.0 111.04 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -61.18 -17.16 51.62 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.082 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -104.08 -17.72 14.82 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.92 16.46 2.2 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.931 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.12 143.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 117.12 0.46 . . . . 0.0 111.061 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -154.45 -179.72 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 111.129 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.47 -145.08 17.9 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -149.56 156.9 42.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.848 0.356 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -72.65 120.71 18.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.094 0.474 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 55.0 p -114.81 138.83 50.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.95 144.29 50.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.507 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.51 156.94 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.689 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.25 136.46 54.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 140.26 44.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.632 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.6 m -135.75 156.41 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.83 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -117.81 148.08 42.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 11.3 m -142.07 131.13 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.239 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.4 ' HB2' ' CZ3' ' D' ' 43' ' ' TRP . 61.2 t80 -81.47 117.94 22.3 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.379 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 94.8 m -92.64 124.56 36.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.99 156.0 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.934 0.397 . . . . 0.0 111.08 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 55.1 m -148.16 -68.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.843 0.354 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -90.36 125.29 35.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.479 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 37.0 m-85 -108.32 127.13 53.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.287 0.565 . . . . 0.0 112.178 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -106.84 124.77 50.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.951 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.1 t -142.15 124.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -94.77 117.29 38.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.586 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.941 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 121.493 0.663 . . . . 0.0 112.097 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.42 -43.35 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.235 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.23 75.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 18.3 m -63.11 -39.55 95.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.213 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.479 ' CD2' ' CD1' ' D' ' 3' ' ' TYR . 78.8 t80 -64.92 -52.9 53.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.861 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -53.79 -49.35 68.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.816 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -66.81 -48.59 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 73.3 t -63.68 -42.25 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.8 -44.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.973 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -64.31 -45.44 87.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -65.02 -41.33 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.437 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.423 ' CE2' ' CZ ' ' C' ' 34' ' ' PHE . 3.8 t80 -68.32 -48.46 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.423 ' CZ ' ' CE2' ' C' ' 33' ' ' PHE . 28.7 m-85 -78.13 -31.21 49.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.27 -29.12 45.93 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.057 -0.402 . . . . 0.0 111.059 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.26 -17.15 52.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.967 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -104.0 -17.88 14.8 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.24 16.06 2.18 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.869 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.89 143.18 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.276 0.538 . . . . 0.0 111.108 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -154.32 -179.57 8.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.926 0.393 . . . . 0.0 111.138 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.29 -144.98 17.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.412 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -149.71 157.02 42.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 110.97 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.79 120.59 18.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.4 p -114.59 138.96 50.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.1 144.23 50.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.448 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.36 157.06 38.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.666 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.04 136.15 54.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.87 140.21 43.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.605 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 19.8 m -135.96 156.39 48.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -117.86 148.32 42.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 12.7 m -142.34 131.13 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.23 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -81.38 118.26 22.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.483 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 91.8 m -92.82 124.34 36.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.284 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.08 155.38 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.891 0.377 . . . . 0.0 111.128 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 55.5 m -147.72 -68.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.786 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.962 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 121.006 0.431 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.46 125.18 35.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.759 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.479 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 37.2 m-85 -108.27 127.09 53.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.348 0.595 . . . . 0.0 112.144 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -106.75 124.58 49.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -142.2 124.88 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 34.3 mt -94.67 117.33 38.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.515 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' D' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.983 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 121.335 0.588 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.59 63.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.248 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.031 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 18.6 m -63.01 -39.57 95.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.296 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.479 ' CD2' ' CD1' ' C' ' 3' ' ' TYR . 78.9 t80 -64.95 -52.97 53.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.826 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -53.74 -49.28 68.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.752 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -66.82 -48.8 67.81 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 75.3 t -63.49 -42.21 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 51.8 t -69.89 -44.96 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.034 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -64.11 -45.54 88.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.98 -41.25 95.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.388 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.421 ' CE2' ' CZ ' ' D' ' 34' ' ' PHE . 3.8 t80 -68.46 -48.41 64.6 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.421 ' CZ ' ' CE2' ' D' ' 33' ' ' PHE . 28.5 m-85 -78.07 -31.18 50.05 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -29.09 45.04 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.993 0.425 . . . . 0.0 111.069 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -61.14 -17.23 51.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.053 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -104.14 -17.85 14.75 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.24 16.42 2.13 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.855 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.27 143.19 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.221 0.511 . . . . 0.0 111.052 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -154.28 -179.41 7.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.17 -145.08 18.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -149.74 157.05 42.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.851 0.358 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . 0.4 ' CZ3' ' HB2' ' B' ' 52' ' ' PHE . 88.5 m95 -72.83 120.44 18.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 51.9 p -114.55 139.23 49.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.778 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -71.14 144.5 50.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.457 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.54 156.96 38.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.85 136.06 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 140.61 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.702 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -136.28 156.47 48.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -117.8 148.27 42.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 11.6 m -142.37 131.25 22.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.263 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -81.68 118.34 22.75 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.496 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -93.04 124.48 37.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.234 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.03 155.54 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 53.0 m -147.89 -68.16 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.81 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.004 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.734 0.302 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.67 123.28 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.569 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 36.9 m-85 -110.88 132.77 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.34 0.591 . . . . 0.0 112.082 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -106.44 129.32 54.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.36 123.11 11.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 mt -96.55 117.22 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.58 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.416 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.8 t70 . . . . . 0 C--O 1.226 -0.177 0 CA-C-O 121.231 0.539 . . . . 0.0 111.811 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.21 -44.35 10.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.851 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -24.52 66.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.473 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 96.4 m -60.73 -40.06 90.98 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.075 0.464 . . . . 0.0 110.38 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' B' ' 3' ' ' TYR . 26.3 t80 -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.43 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 39.1 mt-10 -54.97 -52.74 62.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.135 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -67.39 -48.1 68.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.58 -42.01 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.98 -46.2 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -63.42 -45.27 91.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.004 0.431 . . . . 0.0 110.408 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -62.83 -46.02 89.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.143 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.519 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.9 t80 -67.86 -46.35 71.97 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 37.3 m-85 -75.32 -32.75 61.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -30.65 60.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.059 0.457 . . . . 0.0 111.15 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -62.24 -17.87 59.59 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.272 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -106.12 -20.86 13.28 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.65 13.62 2.02 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 120.206 -0.997 . . . . 0.0 114.335 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -89.01 143.22 11.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 117.668 0.734 . . . . 0.0 110.635 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -156.84 -178.22 7.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.125 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.04 -145.42 17.68 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.261 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -148.61 156.11 41.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 111.056 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.419 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 88.8 m95 -72.9 117.1 14.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.034 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -111.05 138.58 47.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.533 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -70.24 142.73 52.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.624 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.4 158.0 37.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.55 132.48 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.772 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.36 141.14 37.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.13 0.491 . . . . 0.0 111.866 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 m -137.76 156.73 47.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.564 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -125.72 125.03 42.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.878 0.37 . . . . 0.0 111.275 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.9 m -110.36 134.26 52.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.467 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -81.03 118.13 22.22 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.2 m -92.07 121.88 34.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.324 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 t -71.85 156.11 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -150.23 -71.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.807 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.042 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.751 0.31 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.75 123.34 33.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.417 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -110.83 132.66 54.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.566 . . . . 0.0 112.122 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -106.42 129.37 54.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.36 123.36 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mt -96.85 117.18 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 111.556 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.414 HD13 ' CD1' ' B' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.494 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.1 t70 . . . . . 0 C--O 1.226 -0.171 0 CA-C-O 121.183 0.516 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.19 -44.3 10.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.791 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -24.68 66.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.413 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.494 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 95.7 m -60.6 -40.14 90.7 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.18 0.514 . . . . 0.0 110.389 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 26.3 t80 -68.87 -47.19 66.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.523 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.419 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 38.2 mt-10 -55.08 -52.55 62.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.221 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -67.36 -48.3 67.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.35 -42.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.91 -46.45 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -63.24 -45.27 92.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.43 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -62.76 -45.99 90.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.8 t80 -67.93 -46.39 71.64 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.508 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 37.5 m-85 -75.27 -32.86 61.18 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -30.61 60.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.966 0.413 . . . . 0.0 111.163 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.25 -17.91 59.71 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.271 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -106.04 -20.96 13.26 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.78 13.82 1.97 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.224 -0.989 . . . . 0.0 114.263 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -89.18 143.09 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 117.711 0.756 . . . . 0.0 110.583 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -156.71 -177.98 7.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.095 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.88 -145.53 17.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.145 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -148.65 156.05 41.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 111.041 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.419 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 89.0 m95 -72.85 116.84 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -110.83 138.63 46.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.555 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.3 142.59 52.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.624 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.37 157.94 37.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.48 132.81 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.67 141.46 37.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.042 0.448 . . . . 0.0 111.868 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 34.8 m -138.36 156.95 47.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.457 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -125.81 125.2 42.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.96 0.41 . . . . 0.0 111.298 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 20.1 m -110.14 134.17 52.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.415 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -81.07 118.1 22.21 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.202 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 97.0 m -91.97 121.99 34.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.318 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.96 156.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 111.071 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.0 m -150.15 -71.63 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.815 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.078 179.733 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.87 0.367 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -89.35 123.24 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.588 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.431 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 36.7 m-85 -110.94 132.9 53.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.352 0.596 . . . . 0.0 112.095 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -106.54 129.36 54.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.41 123.23 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.726 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -96.61 117.12 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 111.554 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' C' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.488 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.6 t70 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 121.228 0.537 . . . . 0.0 112.165 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.18 -44.12 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.745 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -24.63 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.345 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 96.0 m -60.6 -40.25 91.12 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 0.0 110.291 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 25.8 t80 -68.68 -47.3 66.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.598 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.416 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 38.5 mt-10 -54.94 -52.66 62.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.146 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -67.36 -48.27 67.94 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.42 -42.23 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.69 -46.38 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -63.22 -45.28 92.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.008 0.432 . . . . 0.0 110.473 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -62.87 -46.13 89.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.116 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.51 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.8 t80 -67.76 -46.46 72.02 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 37.3 m-85 -75.28 -32.67 61.09 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -30.41 60.9 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.958 0.408 . . . . 0.0 111.126 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.27 -18.01 60.09 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.197 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -105.96 -20.95 13.27 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.91 13.68 1.96 Allowed Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.168 -1.015 . . . . 0.0 114.242 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 25.7 t -89.13 143.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 117.645 0.722 . . . . 0.0 110.602 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -156.84 -178.28 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.932 0.396 . . . . 0.0 111.026 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.13 -145.33 17.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.276 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -148.8 156.15 41.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . 0.416 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 88.9 m95 -72.97 116.97 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.8 p -110.87 138.7 46.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.599 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.3 142.69 52.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.651 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.54 157.94 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.976 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.37 132.78 49.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.748 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.55 141.21 38.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.883 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 32.1 m -137.78 156.66 47.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.483 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -125.71 125.04 42.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.939 0.4 . . . . 0.0 111.248 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 20.2 m -110.29 134.22 52.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.454 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -81.13 118.01 22.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.217 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 96.9 m -92.07 121.97 34.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.213 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 t -71.74 156.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.111 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -150.42 -71.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.072 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -89.38 123.17 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.606 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.0 m-85 -110.88 132.68 54.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.388 0.613 . . . . 0.0 112.183 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -106.4 129.44 54.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.42 122.99 11.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.754 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mt -96.29 116.97 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 111.482 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.417 HD13 ' CD1' ' D' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.8 t70 . . . . . 0 C--O 1.226 -0.151 0 CA-C-O 121.183 0.516 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.15 -44.35 10.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.773 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.68 -24.56 66.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.39 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 95.6 m -60.68 -40.07 90.81 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.179 0.514 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' C' ' 3' ' ' TYR . 26.1 t80 -68.95 -47.06 66.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.56 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . 0.422 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 37.6 mt-10 -55.01 -52.72 62.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.109 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -67.53 -48.15 67.86 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.42 -42.14 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.93 -46.28 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -63.29 -45.38 91.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.423 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -62.71 -45.99 90.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.158 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.505 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.8 t80 -68.0 -46.39 71.43 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.505 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 37.6 m-85 -75.26 -32.7 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -30.6 61.04 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.138 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -62.26 -17.8 59.48 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.258 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -106.12 -20.93 13.26 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.73 13.77 1.98 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.226 -0.988 . . . . 0.0 114.288 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 25.2 t -89.16 143.2 11.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 117.632 0.716 . . . . 0.0 110.542 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -156.82 -178.03 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.03 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.86 -145.63 17.81 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.222 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -148.55 155.89 41.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 111.095 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . 0.422 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 88.9 m95 -72.72 117.05 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 59.0 p -110.94 138.57 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.51 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.2 142.78 52.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.653 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.49 157.87 37.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.41 132.61 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.2 140.62 38.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.912 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 32.9 m -136.96 156.55 48.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.558 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -125.6 124.98 42.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 111.235 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 19.8 m -110.56 134.16 52.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.431 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -81.06 117.99 22.12 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.224 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -91.76 121.8 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.305 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 t -71.8 156.11 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 111.103 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 88.3 m -150.07 -71.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.211 -0.899 . . . . 0.0 111.104 179.695 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.816 0.341 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.78 125.51 36.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.049 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CD1' ' CD1' ' B' ' 26' ' ' PHE . 43.4 m-85 -109.68 134.63 51.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.319 0.58 . . . . 0.0 112.488 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -106.57 126.99 52.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.487 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.92 130.25 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.371 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -97.14 133.12 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.41 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.317 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 121.209 0.528 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.45 -43.25 55.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.38 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.55 73.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.086 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -63.27 -41.43 99.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.355 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' CD1' ' B' ' 3' ' ' TYR . 59.4 t80 -65.08 -53.57 43.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.027 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 30.6 mt-10 -54.22 -49.02 70.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.081 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.65 -50.4 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.413 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 57.6 t -61.72 -39.59 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.412 HG22 ' CE1' ' A' ' 26' ' ' PHE . 61.9 t -69.0 -45.63 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.797 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -64.5 -45.06 88.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.059 0.457 . . . . 0.0 110.668 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -64.31 -43.3 95.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.335 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 3.9 t80 -67.52 -47.59 69.5 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 29.7 m-85 -78.28 -32.29 49.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.18 -29.15 30.14 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.008 0.432 . . . . 0.0 111.171 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -61.3 -17.14 52.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.143 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -103.9 -18.03 14.78 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.63 17.22 2.15 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.704 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.6 t -88.43 143.23 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 117.084 0.442 . . . . 0.0 110.899 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -152.96 178.55 9.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 0.0 111.114 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.76 -144.68 17.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.368 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -150.12 157.39 43.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.983 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.409 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 85.6 m95 -73.52 122.08 21.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.9 p -114.79 138.19 51.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.659 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -71.83 143.67 49.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.744 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.38 156.72 39.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.691 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 141.56 55.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.775 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.57 138.59 51.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.589 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.0 m -128.55 156.67 42.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.11 137.58 52.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.762 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.2 m -136.64 126.38 25.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -80.76 124.8 29.35 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.633 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -99.11 122.26 42.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.261 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.88 155.72 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.929 0.395 . . . . 0.0 111.153 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 m -150.73 -70.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.958 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.853 0.359 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.94 125.63 36.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.065 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.455 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 44.1 m-85 -109.83 134.66 51.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -106.65 127.0 53.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.485 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.97 130.39 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.481 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 12.6 mt -97.41 132.14 42.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.433 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.409 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.219 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.679 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 121.402 0.62 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -43.36 58.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.457 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.64 74.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.045 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 27.5 m -63.3 -41.38 98.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.38 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 3' ' ' TYR . 59.3 t80 -64.94 -53.66 42.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.97 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.405 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 29.6 mt-10 -54.29 -48.95 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.033 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.7 -50.43 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 57.7 t -61.71 -39.65 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.418 HG22 ' CD1' ' B' ' 26' ' ' PHE . 62.9 t -68.89 -45.88 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.789 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -64.37 -45.11 89.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.538 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -64.2 -43.47 94.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.405 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 3.9 t80 -67.28 -47.61 70.15 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.41 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 29.1 m-85 -78.21 -32.46 49.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.06 -29.14 28.27 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 122.033 -0.417 . . . . 0.0 111.112 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -61.24 -17.11 51.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.149 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -104.09 -18.01 14.71 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.59 17.54 2.11 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.68 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.2 t -88.71 143.25 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.091 0.445 . . . . 0.0 110.836 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -153.12 178.04 10.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.916 0.389 . . . . 0.0 111.103 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.47 -144.5 17.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -150.3 157.35 42.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.405 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 85.5 m95 -73.63 122.16 21.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.112 0.482 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.9 p -114.86 138.31 50.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.632 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -71.94 143.65 49.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.691 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.48 156.84 38.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.52 141.59 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.69 138.8 52.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.572 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 57.0 m -129.11 156.75 43.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.024 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -116.12 137.61 51.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.978 0.418 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 33.3 m -136.53 126.39 25.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.249 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -80.63 124.43 28.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.723 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 84.7 m -98.92 122.31 42.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.272 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.07 155.6 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.86 0.362 . . . . 0.0 111.218 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.8 m -150.74 -70.5 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.047 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.877 0.37 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.87 125.72 36.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.978 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.469 ' CD1' ' CD1' ' D' ' 26' ' ' PHE . 43.3 m-85 -109.87 134.59 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.354 0.597 . . . . 0.0 112.494 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -106.54 126.73 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.48 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.75 130.16 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.426 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -97.01 133.2 39.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.411 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.286 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 121.282 0.563 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.26 -43.29 53.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.378 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.67 -32.7 74.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 28.7 m -63.21 -41.58 99.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.463 ' CD1' ' CD1' ' D' ' 3' ' ' TYR . 59.0 t80 -64.84 -53.77 41.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.949 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.406 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 29.5 mt-10 -54.21 -48.82 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.083 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.86 -50.32 65.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 57.3 t -61.8 -39.66 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . 0.418 HG22 ' CD1' ' C' ' 26' ' ' PHE . 62.2 t -68.92 -45.68 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.745 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 53.5 tttt -64.5 -45.01 89.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.02 0.438 . . . . 0.0 110.59 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -64.35 -43.25 95.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.368 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 3.9 t80 -67.4 -47.66 69.64 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.402 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 29.1 m-85 -78.25 -32.28 49.61 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -53.27 -29.13 31.33 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.95 0.405 . . . . 0.0 111.14 179.15 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -61.25 -17.19 52.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.154 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -103.91 -18.14 14.73 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.84 17.27 2.1 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.783 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 24.7 t -88.31 143.3 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.099 0.45 . . . . 0.0 110.881 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -153.22 178.13 10.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.961 0.41 . . . . 0.0 111.082 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.23 -144.63 17.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.317 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -150.14 157.26 42.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . 0.406 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 85.2 m95 -73.53 122.02 21.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.112 0.482 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.8 p -114.75 138.25 50.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.647 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.79 143.82 49.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.686 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.57 156.74 39.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.51 141.7 55.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.66 138.69 52.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.626 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 56.5 m -128.63 156.59 43.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.02 137.73 51.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 33.2 m -136.82 126.34 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.229 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -80.67 124.6 29.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.637 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -99.05 122.29 42.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.257 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.84 155.71 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.375 . . . . 0.0 111.159 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 72.4 m -150.74 -70.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.947 179.853 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.78 125.62 36.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.055 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.463 ' CD1' ' CD1' ' C' ' 26' ' ' PHE . 43.7 m-85 -109.81 134.5 51.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.381 0.61 . . . . 0.0 112.405 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -106.5 126.79 52.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.477 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.63 130.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.424 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -97.14 132.99 40.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.402 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.302 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 121.31 0.576 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.44 -43.44 55.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.352 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.51 73.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 28.9 m -63.23 -41.56 99.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.356 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.469 ' CD1' ' CD1' ' C' ' 3' ' ' TYR . 59.0 t80 -64.89 -53.74 41.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.964 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 29.7 mt-10 -54.3 -48.78 70.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.098 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -65.81 -50.39 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 57.9 t -61.7 -39.63 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . 0.418 HG22 ' CE1' ' D' ' 26' ' ' PHE . 61.7 t -68.97 -45.8 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.752 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -64.36 -45.04 89.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.01 0.433 . . . . 0.0 110.522 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -64.38 -43.46 94.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.32 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 3.9 t80 -67.26 -47.59 70.25 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.411 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 29.3 m-85 -78.3 -32.27 49.27 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.27 -29.14 31.4 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.899 0.381 . . . . 0.0 111.086 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -61.2 -17.18 51.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.064 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -103.93 -18.1 14.74 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.61 17.57 2.1 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.211 -0.995 . . . . 0.0 113.688 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 t -88.67 143.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 117.094 0.447 . . . . 0.0 110.799 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -153.06 178.27 9.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.916 0.389 . . . . 0.0 111.101 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.15 -144.71 17.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.354 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -150.13 157.31 42.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.971 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . 0.408 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 85.0 m95 -73.61 122.07 21.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.077 0.465 . . . . 0.0 111.111 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.8 p -114.74 138.14 51.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.669 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.76 143.51 49.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.742 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.36 156.71 39.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.763 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.37 141.53 55.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.748 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.58 138.49 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.57 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 55.2 m -128.29 156.57 42.83 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.13 137.33 52.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.782 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 34.0 m -136.58 126.41 25.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.251 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -80.58 124.44 28.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.666 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -98.85 122.26 41.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.338 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.02 155.7 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.401 . . . . 0.0 111.187 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 73.2 m -150.71 -70.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.982 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.756 0.313 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -87.18 123.12 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.657 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.411 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 36.0 m-85 -108.67 129.53 55.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.347 0.594 . . . . 0.0 112.098 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.2 125.64 51.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.605 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -142.34 125.58 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.247 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.58 124.57 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.491 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.411 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.077 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.1 t70 . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 121.337 0.589 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.57 -42.99 56.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.328 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.45 -29.52 69.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 87.2 m -62.2 -39.41 92.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.075 0.464 . . . . 0.0 110.401 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' B' ' 3' ' ' TYR . 16.9 t80 -67.82 -50.41 56.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.861 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -53.75 -54.63 35.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.368 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.75 -50.44 64.74 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.4 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 55.3 t -62.96 -42.21 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.57 -45.77 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.32 -46.08 88.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.076 0.465 . . . . 0.0 110.399 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.59 -46.79 86.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.25 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.513 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.5 t80 -67.13 -45.9 75.72 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 35.4 m-85 -75.07 -34.63 61.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.38 -31.65 61.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.016 0.436 . . . . 0.0 110.931 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.14 -17.62 58.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.062 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -105.53 -21.54 13.19 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.0 14.31 1.85 Allowed Glycine 0 CA--C 1.523 0.58 0 C-N-CA 120.308 -0.948 . . . . 0.0 114.239 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.6 t -88.96 143.29 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 117.581 0.69 . . . . 0.0 110.492 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.5 179.03 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 111.104 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.87 -144.82 17.59 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.391 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -149.01 156.13 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -73.89 118.15 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.14 0.495 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.2 p -110.91 141.28 44.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.527 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -69.75 143.98 52.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.897 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.32 159.26 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.033 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.32 128.97 38.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.515 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.28 142.35 32.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.868 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -136.49 156.6 48.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -124.27 119.85 30.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.988 0.423 . . . . 0.0 111.426 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.4 m -106.58 131.94 53.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.394 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -80.47 117.33 21.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.293 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -91.51 124.11 35.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.408 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 t -72.03 156.81 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.982 0.42 . . . . 0.0 111.112 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.8 m -150.13 -69.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.825 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.046 179.845 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -87.25 122.99 31.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.655 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 36.0 m-85 -108.65 129.4 55.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.291 0.567 . . . . 0.0 112.143 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.07 125.74 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.62 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -142.41 125.57 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.281 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.55 124.46 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.441 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.405 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.172 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' B' ' 25' ' ' THR . 29.1 t70 . . . . . 0 CA--C 1.521 -0.173 0 CA-C-O 121.402 0.62 . . . . 0.0 111.641 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.5 -43.0 55.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.284 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.56 69.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 88.3 m -62.08 -39.47 92.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.054 0.454 . . . . 0.0 110.421 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 16.9 t80 -67.9 -50.42 56.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.805 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -53.8 -54.46 38.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.335 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -65.95 -50.33 64.73 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.4 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 56.1 t -62.93 -42.25 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.55 -45.93 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.2 -45.99 89.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.986 0.422 . . . . 0.0 110.445 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.53 -46.9 86.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.216 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.6 t80 -67.13 -45.98 75.5 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.508 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 35.3 m-85 -74.96 -34.72 62.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -31.65 61.88 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.042 0.449 . . . . 0.0 110.899 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.13 -17.69 58.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.023 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -105.43 -21.64 13.18 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.01 14.41 1.84 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.284 -0.96 . . . . 0.0 114.161 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 t -89.0 143.31 11.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 117.622 0.711 . . . . 0.0 110.554 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.63 178.87 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.03 -144.9 17.55 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.416 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -148.92 156.13 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.75 118.14 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.159 0.504 . . . . 0.0 111.222 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 60.5 p -110.97 141.31 44.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.412 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -69.85 144.15 52.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.864 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.46 159.15 34.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.956 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.29 129.15 38.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.434 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.57 142.42 33.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.115 0.483 . . . . 0.0 111.859 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -136.44 156.61 48.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.511 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -124.36 119.72 30.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.981 0.42 . . . . 0.0 111.385 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -106.5 132.05 52.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.402 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -80.47 117.33 21.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.27 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 84.8 m -91.53 124.01 35.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.468 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 t -71.91 156.93 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.968 0.413 . . . . 0.0 111.146 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.3 m -150.25 -69.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.759 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.992 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.709 0.29 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -87.18 123.14 31.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.413 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 36.1 m-85 -108.73 129.53 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.326 0.584 . . . . 0.0 112.073 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.19 125.58 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.593 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 t -142.31 125.56 14.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.309 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.1 mt -93.59 124.46 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.434 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.079 179.202 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.422 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.9 t70 . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 121.406 0.622 . . . . 0.0 111.603 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.63 -42.93 56.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.246 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -29.53 68.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 90.0 m -62.14 -39.43 92.56 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.048 0.452 . . . . 0.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 16.8 t80 -67.78 -50.5 56.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.832 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -53.72 -54.63 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.283 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.74 -50.49 64.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.94 -42.21 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.5 -45.98 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -63.17 -46.05 88.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.087 0.47 . . . . 0.0 110.439 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.54 -46.96 85.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.21 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.499 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.6 t80 -67.07 -45.81 76.19 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 35.5 m-85 -75.07 -34.71 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.27 -31.73 61.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.024 0.44 . . . . 0.0 110.902 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.18 -17.52 58.33 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.994 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -105.52 -21.61 13.17 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.0 14.41 1.84 Allowed Glycine 0 CA--C 1.523 0.542 0 C-N-CA 120.323 -0.942 . . . . 0.0 114.178 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 31.7 t -89.03 143.27 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 117.614 0.707 . . . . 0.0 110.52 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.51 179.1 9.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.03 0.443 . . . . 0.0 111.086 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.89 -144.72 17.53 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.364 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -149.01 156.2 41.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.85 118.12 16.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.163 0.506 . . . . 0.0 111.214 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.6 p -110.99 141.29 44.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.499 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -69.82 144.04 52.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.833 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.36 159.25 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.33 129.16 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.499 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.53 142.48 33.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.112 0.482 . . . . 0.0 111.803 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -136.53 156.56 48.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.541 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -124.34 119.71 30.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.034 0.445 . . . . 0.0 111.461 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 44.7 m -106.37 131.95 52.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.388 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -80.45 117.27 21.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.264 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -91.45 124.0 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.411 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 t -71.97 156.88 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 0.0 111.151 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 71.1 m -150.18 -69.38 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.781 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.075 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.758 0.313 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -87.12 123.06 31.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.682 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.413 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.0 m-85 -108.61 129.43 55.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.234 0.54 . . . . 0.0 112.119 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -106.17 125.78 51.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.598 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 t -142.41 125.52 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.258 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.49 124.48 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.506 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.111 179.209 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' D' ' 25' ' ' THR . 29.1 t70 . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 121.473 0.654 . . . . 0.0 111.503 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.65 -42.9 56.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.241 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.57 -29.59 68.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 86.8 m -62.15 -39.27 92.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.43 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' C' ' 3' ' ' TYR . 17.0 t80 -67.98 -50.39 55.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.811 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.71 -54.63 35.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.276 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.95 -50.35 64.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.95 -42.23 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.49 -45.91 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.22 -46.04 88.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.008 0.432 . . . . 0.0 110.386 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.58 -46.85 86.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.238 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.6 t80 -67.08 -45.91 75.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 35.6 m-85 -75.13 -34.53 61.67 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -31.65 62.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.1 0.476 . . . . 0.0 110.966 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.15 -17.63 58.5 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.003 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -105.53 -21.55 13.19 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.85 14.54 1.85 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.33 -0.938 . . . . 0.0 114.234 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 31.4 t -89.11 143.31 11.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 117.541 0.671 . . . . 0.0 110.505 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.59 178.93 9.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.02 -144.95 17.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.295 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -148.92 156.15 41.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.89 118.2 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.231 0.539 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 60.9 p -110.99 141.26 44.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.5 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -69.78 144.03 52.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.923 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 159.25 34.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.36 128.98 38.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.47 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.29 142.3 32.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.897 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -136.46 156.6 48.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.537 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -124.25 119.72 30.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 111.458 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 44.7 m -106.42 132.07 52.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.389 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -80.54 117.35 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -91.48 124.0 35.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.472 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 t -71.89 156.95 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.937 0.399 . . . . 0.0 111.144 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 70.9 m -150.33 -69.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.803 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.97 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.859 0.362 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -88.86 124.55 34.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.804 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.42 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 42.4 m-85 -112.8 132.11 55.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.405 0.621 . . . . 0.0 112.355 -179.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -106.36 128.39 53.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.91 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.34 124.09 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.933 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -96.95 117.19 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.871 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.181 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.0 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.2 t70 . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 121.208 0.528 . . . . 0.0 111.653 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.29 -43.66 61.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.374 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -30.41 70.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.195 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 27.2 m -62.09 -36.45 81.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.049 0.452 . . . . 0.0 110.224 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CD1' HD13 ' A' ' 7' ' ' LEU . 37.3 t80 -67.09 -47.66 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.692 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.98 -51.03 70.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.008 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -67.27 -48.89 66.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.13 -40.71 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -71.87 -45.56 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -62.63 -46.11 89.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.014 0.435 . . . . 0.0 110.764 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -63.09 -45.84 90.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.355 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.5 t80 -68.03 -46.58 70.8 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 39.7 m-85 -75.02 -30.93 61.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -30.56 63.4 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 111.194 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.2 -17.88 59.47 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.274 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -106.27 -21.09 13.2 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.49 13.31 1.88 Allowed Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.26 -0.971 . . . . 0.0 114.084 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.3 t -88.73 143.39 11.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 117.611 0.706 . . . . 0.0 110.546 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -157.96 -178.98 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.084 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.24 -145.07 17.52 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.216 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -148.34 155.3 41.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -74.26 115.29 13.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.22 142.19 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.441 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.35 144.79 51.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.877 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.37 158.8 35.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.07 129.97 41.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.55 141.18 32.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.065 0.46 . . . . 0.0 112.128 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -138.6 156.66 47.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.577 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -126.03 123.32 38.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 111.245 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.2 m -107.74 134.21 51.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.434 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.59 116.43 20.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.26 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.3 m -90.77 122.73 33.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.329 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -71.46 155.64 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 111.229 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 m -149.88 -69.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.886 -179.811 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -88.7 124.53 34.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.819 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.416 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 41.9 m-85 -112.82 132.06 55.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.389 0.614 . . . . 0.0 112.461 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -106.42 128.4 54.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.96 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.19 124.1 13.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.932 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 35.7 mt -96.84 117.17 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.839 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' B' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.017 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' B' ' 25' ' ' THR . 12.6 t70 . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 121.265 0.555 . . . . 0.0 111.549 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.43 -43.28 61.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.291 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.49 70.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.176 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 26.0 m -62.14 -36.26 81.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.206 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.425 ' CD1' HD13 ' B' ' 7' ' ' LEU . 37.8 t80 -67.23 -47.68 70.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.719 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.96 -51.14 70.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.951 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -67.08 -48.79 67.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.24 -40.6 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.92 -45.49 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -62.74 -45.93 90.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 110.734 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.38 -45.73 89.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.228 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.5 t80 -68.06 -46.54 70.79 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.504 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 39.9 m-85 -75.08 -31.02 61.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.65 -30.53 63.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.256 178.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -62.33 -17.66 59.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.261 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -106.32 -21.11 13.19 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.28 13.28 1.93 Allowed Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.32 -0.943 . . . . 0.0 114.252 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 24.5 t -88.74 143.29 11.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 117.535 0.668 . . . . 0.0 110.611 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -157.89 -179.16 7.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 111.095 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.44 -144.8 17.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.148 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -148.59 155.29 40.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -74.31 115.43 13.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.165 0.507 . . . . 0.0 111.19 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 31.1 p -110.35 142.01 42.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.472 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.28 144.57 51.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.839 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.22 158.86 35.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.1 130.15 42.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.686 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.59 141.05 33.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.085 0.469 . . . . 0.0 112.093 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -138.41 156.55 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.425 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -126.09 123.44 38.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 0.0 111.2 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 31.3 m -107.95 134.37 50.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.45 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.65 116.54 20.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.255 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 86.2 m -90.99 122.46 33.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.353 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.25 155.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.871 0.367 . . . . 0.0 111.24 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 61.8 m -149.92 -69.67 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.923 -179.876 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.829 0.347 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -88.83 124.56 34.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 42.4 m-85 -112.83 132.26 55.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.411 0.625 . . . . 0.0 112.443 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -106.42 128.33 53.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.973 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.24 124.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.006 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -97.15 117.19 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.926 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.414 HD13 ' CD1' ' C' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.97 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' C' ' 25' ' ' THR . 12.0 t70 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 121.528 0.68 . . . . 0.0 112.439 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.88 -43.65 63.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.423 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -30.48 70.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 25.7 m -62.18 -36.17 81.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.212 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 38.4 t80 -67.16 -47.84 69.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.669 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.92 -51.17 70.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.931 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -66.96 -48.9 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.22 -40.57 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -72.08 -45.48 62.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -62.73 -46.04 89.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 0.0 110.661 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.27 -45.91 89.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.317 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.501 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.5 t80 -67.94 -46.54 71.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.501 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 39.9 m-85 -75.02 -31.06 61.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -30.52 63.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 111.2 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.22 -17.88 59.52 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.306 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -106.22 -20.93 13.25 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.15 13.42 1.94 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.293 -0.956 . . . . 0.0 114.216 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 23.7 t -88.84 143.29 11.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.551 0.676 . . . . 0.0 110.678 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -158.05 -179.34 8.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.946 0.403 . . . . 0.0 111.192 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.83 -144.89 17.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.144 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -148.24 155.23 41.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.374 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.32 115.27 13.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.231 0.538 . . . . 0.0 111.193 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.23 142.14 42.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.403 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.31 144.61 51.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.868 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.18 158.9 35.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.99 129.92 41.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.716 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.23 140.8 31.58 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.009 0.433 . . . . 0.0 111.947 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -138.5 156.57 47.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.57 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -126.32 123.19 37.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.013 0.435 . . . . 0.0 111.325 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -107.54 134.46 50.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.486 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.57 116.35 20.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -90.81 122.58 33.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.327 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.46 156.03 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.959 0.409 . . . . 0.0 111.193 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 64.8 m -150.28 -69.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.932 -179.753 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -88.63 124.53 34.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.592 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.424 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 42.2 m-85 -112.82 132.27 55.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.46 0.648 . . . . 0.0 112.504 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -106.37 128.38 53.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.953 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.33 124.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 34.2 mt -97.02 117.18 41.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.856 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.424 HD13 ' CD1' ' D' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' D' ' 25' ' ' THR . 12.8 t70 . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 121.328 0.585 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.38 -43.52 61.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.317 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.26 -30.65 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 26.6 m -62.04 -36.3 81.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.186 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.424 ' CD1' HD13 ' D' ' 7' ' ' LEU . 36.8 t80 -67.12 -47.89 69.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.663 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.78 -51.24 69.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.924 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -67.13 -48.82 66.94 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.27 -40.67 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.84 -45.75 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -62.47 -46.05 90.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.985 0.421 . . . . 0.0 110.764 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.32 -45.74 89.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.295 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.6 t80 -68.11 -46.57 70.55 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.508 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 40.4 m-85 -75.02 -30.97 61.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -30.49 63.38 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.267 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.28 -17.8 59.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.273 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -106.28 -21.06 13.21 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.36 13.37 1.9 Allowed Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.296 -0.954 . . . . 0.0 114.231 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 t -88.83 143.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 117.587 0.693 . . . . 0.0 110.601 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -158.0 -179.33 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.16 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 -144.98 17.34 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.18 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -148.27 155.27 41.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.41 . . . . 0.0 110.922 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.29 115.45 13.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.46 142.22 42.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.44 144.75 51.39 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.915 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.29 158.75 35.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.9 130.03 41.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.478 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.74 141.3 33.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.111 0.482 . . . . 0.0 112.07 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -138.52 156.67 47.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -126.2 123.48 38.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 111.334 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 30.8 m -107.87 134.22 51.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.473 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.47 116.35 20.47 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -90.81 122.5 33.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.281 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.27 155.55 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 0.0 111.111 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.1 m -149.71 -69.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.03 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.865 -179.838 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.812 0.339 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -88.06 123.41 32.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -108.27 127.89 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.279 0.562 . . . . 0.0 111.823 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.65 125.44 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.688 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.19 127.27 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.575 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.2 mt -93.88 119.05 41.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' B' ' 34' ' ' PHE . 4.5 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' A' ' 25' ' ' THR . 28.3 t0 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 121.319 0.58 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.25 -41.2 68.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.133 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.13 -32.74 74.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.78 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 22.3 m -62.9 -35.89 81.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.049 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.14 -50.2 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.92 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.18 -50.53 70.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.176 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -67.27 -47.94 69.17 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG22 ' CZ ' ' B' ' 33' ' ' PHE . 64.1 t -62.16 -40.46 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.73 -45.27 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 55.9 tttt -64.62 -45.59 86.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.641 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -64.07 -44.24 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.159 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.408 ' CZ ' HG22 ' B' ' 29' ' ' VAL . 4.7 t80 -67.47 -47.25 70.63 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' B' ' 7' ' ' LEU . 36.8 m-85 -77.32 -32.03 54.97 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -53.76 -30.64 45.36 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.967 178.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.93 -18.47 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.639 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -101.54 -20.4 15.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.798 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.7 16.73 2.98 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.319 -0.943 . . . . 0.0 113.272 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.9 t -88.38 143.35 11.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.92 0.36 . . . . 0.0 110.45 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -155.88 -178.95 7.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.988 0.423 . . . . 0.0 111.237 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.23 -144.86 18.26 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.316 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -148.91 156.31 42.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -72.34 122.5 21.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.6 p -114.79 138.61 50.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.593 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -71.46 142.21 50.21 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.641 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.19 159.24 35.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.83 135.16 53.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.75 140.7 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.686 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.85 156.41 48.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.765 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -120.31 146.43 46.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.995 0.426 . . . . 0.0 110.977 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -138.59 129.42 26.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.26 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -81.36 121.2 25.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.411 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -94.78 124.34 38.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.226 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 t -70.82 156.49 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 111.09 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.9 m -149.3 -69.34 0.21 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.011 179.882 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.83 0.347 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -87.97 123.39 32.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.561 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -108.26 127.87 54.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.132 0.491 . . . . 0.0 111.917 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.61 125.43 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.71 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.18 127.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.479 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 35.2 mt -93.96 118.9 40.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.901 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 4.5 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' B' ' 25' ' ' THR . 28.1 t0 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 121.345 0.593 . . . . 0.0 111.996 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.19 -41.18 68.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.191 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.15 -32.64 74.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 22.7 m -62.94 -35.85 81.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.034 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -65.14 -50.25 66.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.96 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.29 -50.45 71.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.075 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -67.38 -47.91 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 63.9 t -62.08 -40.51 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.69 -45.51 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.41 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 56.2 tttt -64.54 -45.48 86.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.923 0.392 . . . . 0.0 110.684 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -64.02 -44.28 93.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 4.8 t80 -67.42 -47.34 70.54 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' A' ' 7' ' ' LEU . 36.7 m-85 -77.3 -31.97 55.09 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -53.8 -30.61 45.66 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.985 178.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.02 -18.4 60.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.571 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -101.52 -20.56 15.04 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.74 16.78 2.96 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.344 -0.931 . . . . 0.0 113.28 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 t -88.35 143.25 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.934 0.367 . . . . 0.0 110.567 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -155.82 -178.77 7.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.103 0.478 . . . . 0.0 111.224 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.03 -145.0 18.37 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.41 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -148.75 156.17 41.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.9 0.381 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.25 122.47 21.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -114.73 138.61 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.585 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -71.42 142.3 50.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.645 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.26 159.07 35.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.771 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.8 135.2 53.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.727 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.83 140.59 41.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.695 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.71 156.39 48.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.82 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -120.19 146.42 46.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.41 . . . . 0.0 111.061 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 16.6 m -138.56 129.36 26.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.265 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -81.35 121.19 25.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.412 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -94.62 124.33 38.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.234 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 t -70.87 156.53 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 111.093 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 63.1 m -149.32 -69.53 0.21 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.009 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -88.01 123.42 32.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -108.2 127.78 54.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.162 0.506 . . . . 0.0 111.902 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.62 125.35 50.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.679 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.16 127.38 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.479 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 35.1 mt -93.85 118.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' D' ' 34' ' ' PHE . 4.5 tp . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.849 0.357 . . . . 0.0 111.012 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.422 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.0 t0 . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 121.338 0.589 . . . . 0.0 111.81 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.33 -41.13 68.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.119 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.65 74.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 22.6 m -62.86 -35.9 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.064 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.12 -50.36 66.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.844 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.18 -50.51 71.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.131 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -67.32 -47.95 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 64.4 t -62.09 -40.48 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.67 -45.46 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . 0.401 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 56.0 tttt -64.55 -45.62 86.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.97 -44.27 93.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.183 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 4.8 t80 -67.4 -47.3 70.7 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.45 ' CE1' ' CD1' ' D' ' 7' ' ' LEU . 37.0 m-85 -77.39 -31.9 54.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -53.76 -30.74 45.76 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.994 178.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.94 -18.45 60.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.605 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -101.47 -20.54 15.07 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.73 16.73 2.97 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.279 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 t -88.26 143.3 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.902 0.351 . . . . 0.0 110.507 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -155.86 -178.8 7.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.065 0.459 . . . . 0.0 111.288 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.09 -145.01 18.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.348 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.74 156.19 42.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.26 122.51 21.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.189 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.6 p -114.77 138.57 50.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.529 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.38 142.24 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.611 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.25 159.26 34.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.05 135.29 53.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.674 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.88 140.71 41.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.796 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.83 156.37 48.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.752 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -120.1 146.5 45.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 111.089 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -138.63 129.37 26.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.208 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -81.35 121.26 25.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.454 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 92.4 m -94.84 124.3 38.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.31 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 t -70.72 156.46 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.92 0.391 . . . . 0.0 111.061 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 62.5 m -149.27 -69.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.825 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.957 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -87.97 123.42 32.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -108.34 127.78 54.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.296 0.57 . . . . 0.0 111.871 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.59 125.44 51.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.671 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.15 127.21 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.56 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 35.3 mt -93.85 119.03 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.45 ' CD1' ' CE1' ' C' ' 34' ' ' PHE . 4.5 tp . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.974 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' D' ' 25' ' ' THR . 27.8 t0 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 121.291 0.567 . . . . 0.0 111.787 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.26 -41.1 68.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.125 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.14 -32.77 74.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.048 0.452 . . . . 0.0 110.91 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 22.6 m -62.82 -35.87 81.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.03 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -65.18 -50.27 66.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.864 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -56.31 -50.4 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.844 -0.617 . . . . 0.0 112.118 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -67.28 -48.1 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 64.5 t -62.11 -40.34 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.84 -45.37 77.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 56.5 tttt -64.52 -45.66 86.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.972 0.415 . . . . 0.0 110.569 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.98 -44.28 93.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.162 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 4.8 t80 -67.39 -47.29 70.77 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.451 ' CE1' ' CD1' ' C' ' 7' ' ' LEU . 36.9 m-85 -77.35 -31.94 54.77 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 0.9 OUTLIER -53.85 -30.7 46.69 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.941 178.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.96 -18.34 60.06 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.656 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' D' ' 34' ' ' PHE . 6.9 m-80 -101.62 -20.4 15.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.784 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.63 16.8 2.99 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.299 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 32.4 t -88.43 143.32 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.933 0.367 . . . . 0.0 110.527 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -155.85 -178.85 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.015 0.436 . . . . 0.0 111.334 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.09 -144.91 18.32 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.401 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -148.85 156.22 42.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -72.29 122.53 21.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.6 p -114.78 138.61 50.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -71.42 142.2 50.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.639 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.25 159.23 34.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.9 135.31 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.736 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.96 140.74 42.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.765 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 8.9 m -133.86 156.32 48.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.756 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -120.1 146.4 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -138.54 129.39 26.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.28 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.3 121.23 25.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.507 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.0 m -94.68 124.39 38.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.331 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 t -70.88 156.51 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.387 . . . . 0.0 111.003 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 62.2 m -149.33 -69.38 0.21 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.974 179.824 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -88.07 123.09 32.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.212 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.2 m-85 -108.87 130.16 55.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.325 0.583 . . . . 0.0 112.143 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -106.57 129.12 54.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 t -142.38 127.4 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.406 HD12 HG21 ' A' ' 6' ' ' ILE . 28.7 mt -95.16 123.57 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.234 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.404 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.261 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 25' ' ' THR . 36.1 t70 . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.74 -43.06 57.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.176 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.68 -28.79 67.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.293 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 89.8 m -62.56 -38.5 90.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.764 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' B' ' 3' ' ' TYR . 16.5 t80 -68.85 -45.27 71.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.673 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 1.5 tt0 -56.21 -55.53 32.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.202 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -67.14 -48.53 67.77 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.29 -42.5 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.74 -45.73 72.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -63.55 -45.73 89.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 110.619 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -63.13 -45.53 91.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.518 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.9 t80 -67.65 -46.41 72.52 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 36.6 m-85 -75.85 -34.79 60.07 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.17 -32.07 54.46 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.98 0.419 . . . . 0.0 111.119 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -61.62 -17.72 56.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.036 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -105.76 -21.41 13.18 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.47 13.34 1.89 Allowed Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.116 -1.04 . . . . 0.0 114.232 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.69 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.46 0.63 . . . . 0.0 110.907 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -158.46 -177.37 6.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.389 . . . . 0.0 111.271 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.03 -145.15 18.4 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.303 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -147.46 154.69 41.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.951 0.405 . . . . 0.0 111.094 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.415 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 95.2 m95 -73.17 117.94 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.31 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.1 p -110.64 141.66 43.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.348 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.09 143.22 52.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.48 160.26 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -66.38 126.06 27.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 144.84 28.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.867 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -140.01 156.36 46.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.45 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -124.58 119.01 27.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.03 0.443 . . . . 0.0 111.307 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.5 m -104.06 132.56 50.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.18 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.35 114.73 20.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.231 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.4 m -86.88 123.16 31.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.466 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.2 155.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 111.073 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 m -149.49 -69.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.888 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.854 0.359 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.24 123.17 32.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.094 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -109.15 130.22 55.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.29 0.567 . . . . 0.0 112.049 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -106.61 129.38 54.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 14.3 t -142.3 127.26 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 28.8 mt -95.12 123.15 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.314 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.409 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 1.2 mp . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' B' ' 25' ' ' THR . 36.2 t70 . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.314 0.578 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.31 -43.01 53.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.233 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.77 -28.87 67.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.352 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 91.2 m -62.37 -38.78 90.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.796 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 16.8 t80 -68.62 -45.23 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.7 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 1.5 tt0 -56.31 -55.28 35.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.217 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.3 -48.5 67.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.32 -42.67 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -70.59 -45.95 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -63.37 -45.63 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.684 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.21 -45.54 91.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.224 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.515 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 5.0 t80 -67.63 -46.38 72.65 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.515 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 36.7 m-85 -75.83 -34.84 60.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -31.96 53.99 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.96 0.409 . . . . 0.0 111.185 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -61.79 -17.62 56.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.053 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -105.72 -21.35 13.2 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.4 13.38 1.89 Allowed Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.063 -1.065 . . . . 0.0 114.246 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 t -89.82 143.37 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 117.437 0.619 . . . . 0.0 110.886 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -158.47 -177.04 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 111.25 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.75 -145.17 18.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.44 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -147.33 154.77 41.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.409 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 95.0 m95 -73.45 118.04 15.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.351 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 64.6 p -110.74 141.74 43.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.264 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.16 143.4 52.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.72 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.69 160.09 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.012 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -66.35 126.08 27.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.3 145.22 27.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.918 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 22.3 m -140.18 156.46 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.523 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -124.61 119.07 27.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.033 0.444 . . . . 0.0 111.339 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 31.7 m -104.01 132.46 50.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.169 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -81.25 114.76 20.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.224 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.0 m -86.83 123.01 31.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.43 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.2 155.63 7.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.882 0.373 . . . . 0.0 111.106 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 m -149.34 -69.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.004 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.23 123.19 32.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.183 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.1 m-85 -108.99 130.23 55.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.366 0.603 . . . . 0.0 112.029 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -106.57 129.02 54.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 14.3 t -142.25 127.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 mt -95.06 123.4 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.303 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.405 HD12 ' CZ ' ' D' ' 34' ' ' PHE . 1.2 mp . . . . . 0 C--N 1.331 -0.236 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' C' ' 25' ' ' THR . 35.9 t70 . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.431 0.634 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.97 52.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.249 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.85 67.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.345 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 86.5 m -62.49 -38.72 90.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 16.5 t80 -68.66 -45.35 71.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.637 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.407 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 1.5 tt0 -56.11 -55.47 32.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.233 -179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.37 -48.38 67.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 56.9 t -63.22 -42.7 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.7 -45.73 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -63.47 -45.66 89.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 0.0 110.682 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -63.16 -45.66 90.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.507 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.9 t80 -67.59 -46.31 72.99 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.507 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 36.5 m-85 -75.84 -34.77 60.1 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -32.05 54.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.944 0.402 . . . . 0.0 111.162 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -61.76 -17.64 56.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.059 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -105.7 -21.69 13.13 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.72 13.25 1.85 Allowed Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.113 -1.041 . . . . 0.0 114.215 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.55 143.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 117.496 0.648 . . . . 0.0 110.95 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -158.43 -177.42 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.11 -145.14 18.37 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.303 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -147.28 154.86 41.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.4 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . 0.407 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 95.0 m95 -73.37 117.96 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 63.3 p -110.66 141.58 43.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.333 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.11 143.41 52.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.826 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.82 160.07 33.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.014 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.32 126.02 27.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 145.05 27.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.96 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 19.8 m -140.15 156.47 46.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.392 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -124.61 119.06 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.079 0.466 . . . . 0.0 111.376 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 31.5 m -104.12 132.55 50.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.169 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -81.26 114.76 20.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.194 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -86.87 123.08 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.483 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.08 155.69 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.1 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 68.1 m -149.46 -69.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.929 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.896 0.379 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.37 123.17 32.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.299 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.427 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.3 m-85 -109.06 130.08 55.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.349 0.595 . . . . 0.0 112.034 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -106.53 129.2 54.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.817 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 t -142.31 127.23 16.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.406 HD12 HG21 ' D' ' 6' ' ' ILE . 28.8 mt -95.14 123.51 47.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.349 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--N 1.331 -0.225 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.173 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' D' ' 25' ' ' THR . 35.7 t70 . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 121.408 0.623 . . . . 0.0 111.872 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.66 -43.1 57.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.22 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.66 -28.82 68.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.344 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 87.2 m -62.52 -38.48 90.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.787 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' C' ' 3' ' ' TYR . 16.8 t80 -68.81 -45.21 71.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.705 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . 0.418 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 1.5 tt0 -56.38 -55.39 34.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.234 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -67.11 -48.58 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.3 -42.45 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -70.75 -45.84 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 32.6 tttt -63.33 -45.75 89.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.961 0.41 . . . . 0.0 110.642 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -63.12 -45.78 90.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.114 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.511 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 5.0 t80 -67.52 -46.31 73.2 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.511 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 36.6 m-85 -75.86 -34.91 60.05 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -31.94 53.93 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.042 0.449 . . . . 0.0 111.193 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -61.74 -17.64 56.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.051 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -105.79 -21.43 13.17 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.43 13.37 1.89 Allowed Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.042 -1.075 . . . . 0.0 114.187 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 23.5 t -89.88 143.35 11.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 117.52 0.66 . . . . 0.0 110.824 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -158.33 -177.37 6.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.895 0.378 . . . . 0.0 111.246 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.07 -145.2 18.39 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.374 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -147.39 154.62 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.384 . . . . 0.0 111.031 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . 0.418 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 95.2 m95 -73.18 118.11 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.353 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -110.79 141.64 43.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.317 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.13 143.21 52.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.51 160.39 32.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.066 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.56 125.98 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.752 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.05 144.72 27.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.061 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 19.4 m -139.89 156.32 46.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.368 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -124.62 118.88 27.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.047 0.451 . . . . 0.0 111.363 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 31.8 m -103.96 132.68 49.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.12 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -81.34 114.76 20.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.185 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 90.5 m -86.83 123.07 31.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.44 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.28 155.75 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 111.113 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.6 m -149.51 -69.38 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.931 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.799 0.333 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.87 122.59 33.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 38.3 m-85 -108.24 133.45 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.303 0.573 . . . . 0.0 112.18 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -106.56 131.47 53.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.805 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.0 t -142.54 127.4 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -99.93 118.1 46.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.512 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.243 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.392 0.615 . . . . 0.0 111.801 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.8 -43.38 65.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.236 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.6 -30.94 70.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.08 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.9 m -63.03 -39.18 93.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.468 ' CD2' ' CD1' ' B' ' 3' ' ' TYR . 19.0 t80 -66.17 -46.1 78.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.849 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.05 -53.92 51.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.123 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -67.82 -49.06 64.33 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.08 -44.84 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 26' ' ' PHE . 56.8 t -69.34 -46.78 76.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -63.43 -45.28 91.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.911 0.386 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -64.73 -42.66 95.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.739 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -67.89 -47.6 68.37 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 30.3 m-85 -77.32 -32.83 55.55 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -29.08 38.31 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.928 0.394 . . . . 0.0 111.189 178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.21 -17.09 51.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.875 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -104.16 -14.93 15.68 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.26 17.25 3.02 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.557 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.9 143.66 10.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 117.129 0.464 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -155.66 -178.98 7.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.016 0.436 . . . . 0.0 111.077 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.52 -143.42 18.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -150.78 157.93 43.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.022 0.439 . . . . 0.0 111.237 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -73.03 121.87 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.393 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.8 p -113.23 140.1 48.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.726 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.79 146.14 49.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.611 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.22 157.44 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 110.813 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.62 132.36 48.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.27 141.7 40.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.464 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.0 m -138.71 156.7 47.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.552 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -115.14 148.01 39.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.001 0.429 . . . . 0.0 111.18 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -141.49 128.69 20.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.939 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -81.42 117.97 22.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.489 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -95.5 126.15 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.255 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.37 155.34 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.915 0.388 . . . . 0.0 111.224 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.9 m -143.08 -75.79 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.357 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.955 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.904 0.383 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.72 122.41 32.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.468 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 38.1 m-85 -108.17 133.39 52.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.327 0.584 . . . . 0.0 112.267 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -106.41 131.49 53.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.827 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.58 127.2 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 mt -99.51 117.87 45.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 111.515 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.419 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.331 -0.228 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 CA--C 1.517 -0.307 0 CA-C-O 121.29 0.567 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.66 -42.94 65.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.197 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.99 -30.94 70.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 74.9 m -63.12 -38.91 93.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.472 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 19.1 t80 -66.22 -46.11 78.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.824 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.11 -54.0 50.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.113 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -67.76 -49.11 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.1 -44.65 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.412 HG23 ' CD2' ' B' ' 26' ' ' PHE . 56.1 t -69.5 -46.59 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -63.48 -45.43 90.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 110.798 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.66 -42.6 95.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.736 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -68.03 -47.41 68.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.416 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 30.5 m-85 -77.48 -32.49 54.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -29.1 41.55 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.191 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -61.37 -17.05 52.15 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.829 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -104.28 -14.7 15.7 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.94 17.47 3.07 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.487 -0.863 . . . . 0.0 113.597 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.12 143.68 10.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.153 0.476 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.72 -178.78 7.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.28 -143.68 18.06 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.505 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -150.58 157.88 43.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.402 . . . . 0.0 111.211 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -72.9 121.94 20.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.351 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 45.8 p -113.23 140.05 48.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.739 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.84 146.32 49.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.585 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.3 157.4 37.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.68 132.44 48.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 141.71 41.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.66 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -138.66 156.64 47.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.568 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -114.97 148.01 39.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.075 0.464 . . . . 0.0 111.169 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.59 128.73 20.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -81.47 118.44 22.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.48 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 89.3 m -96.04 126.01 40.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.155 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.11 155.31 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.355 . . . . 0.0 111.269 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 56.4 m -143.0 -76.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.393 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.945 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.739 0.304 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -89.74 122.53 32.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.745 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.471 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 37.9 m-85 -108.26 133.32 52.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.289 0.566 . . . . 0.0 112.206 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -106.45 131.6 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.82 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.8 t -142.58 127.33 16.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.68 118.34 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.471 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.249 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 121.454 0.645 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.83 -43.33 65.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.263 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.61 -30.95 70.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 73.7 m -63.04 -39.07 93.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.742 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.469 ' CD2' ' CD1' ' D' ' 3' ' ' TYR . 18.8 t80 -66.2 -45.99 78.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.859 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.2 -53.85 52.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.154 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -67.85 -48.88 64.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.29 -44.69 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . 0.418 HG23 ' CD2' ' C' ' 26' ' ' PHE . 53.1 t -69.48 -46.48 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -63.76 -45.21 90.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.903 0.382 . . . . 0.0 110.683 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.781 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -67.82 -47.53 68.81 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.42 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 30.3 m-85 -77.4 -32.59 54.91 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.94 -29.15 41.16 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.872 0.368 . . . . 0.0 111.119 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -61.34 -17.08 52.15 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.932 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -104.2 -14.77 15.72 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.06 17.41 3.05 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.459 -0.877 . . . . 0.0 113.585 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.01 143.55 10.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 117.121 0.461 . . . . 0.0 111.015 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.46 -179.02 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 0.0 111.201 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.53 -143.55 18.07 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -150.5 158.11 43.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 111.361 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -73.23 122.04 21.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.353 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 47.4 p -113.59 140.17 48.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.76 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.75 146.25 49.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.693 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.27 157.48 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.68 132.21 47.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.05 141.7 39.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.497 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -138.66 156.59 47.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.703 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -115.13 147.63 40.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.016 0.436 . . . . 0.0 111.189 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.47 128.71 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.985 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -81.34 118.19 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.512 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -95.69 126.08 40.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.313 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.32 155.35 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.225 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 56.4 m -142.96 -75.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.358 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.948 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.856 0.36 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -89.82 122.61 33.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.674 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.469 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 38.3 m-85 -108.24 133.41 52.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.242 0.544 . . . . 0.0 112.232 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -106.55 131.38 53.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.865 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.53 127.16 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.52 118.19 45.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.518 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.048 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.254 0.55 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.72 -43.05 65.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -30.96 70.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 74.8 m -63.07 -38.89 92.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.686 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.471 ' CD2' ' CD1' ' C' ' 3' ' ' TYR . 19.1 t80 -66.33 -46.11 77.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.8 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.96 -54.04 49.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.165 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -67.89 -48.99 64.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.04 -44.75 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . 0.414 HG23 ' CD2' ' D' ' 26' ' ' PHE . 54.2 t -69.46 -46.69 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -63.43 -45.34 91.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.768 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.78 -42.65 94.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.723 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -67.78 -47.56 68.83 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.416 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 30.2 m-85 -77.45 -32.86 54.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -29.23 38.05 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.938 0.399 . . . . 0.0 111.142 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.31 -16.96 51.19 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.927 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -104.2 -14.91 15.67 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.01 17.6 3.03 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.491 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.27 143.69 10.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 117.207 0.503 . . . . 0.0 110.968 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.6 -178.71 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.189 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.27 -143.49 18.0 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.539 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -150.79 157.99 43.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.403 . . . . 0.0 111.201 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -72.92 121.68 20.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -113.04 140.11 48.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.756 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.92 146.27 49.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.574 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.28 157.44 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.71 132.47 48.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.43 141.82 40.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.525 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 27.5 m -138.5 156.64 47.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.572 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -115.01 147.87 39.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 0.0 111.174 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 16.6 m -141.53 128.77 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -81.61 118.4 22.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.402 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -95.91 126.13 40.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.191 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.26 155.44 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.218 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 57.6 m -143.18 -76.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.279 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.912 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.912 0.386 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -89.99 124.25 34.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.713 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.413 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 38.8 m-85 -109.2 128.71 55.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.377 0.608 . . . . 0.0 111.776 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -106.53 128.07 53.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 t -142.35 124.35 13.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 mt -96.61 117.28 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.4 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.439 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.189 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.0 t70 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 121.244 0.545 . . . . 0.0 111.388 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.54 -44.55 56.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.428 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.81 -31.81 72.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.214 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 18.6 m -63.62 -40.76 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.738 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CD1' ' CD1' ' A' ' 7' ' ' LEU . 31.8 t80 -64.87 -46.93 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.806 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.56 -48.64 78.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.604 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -67.87 -45.44 74.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 63.5 t -63.14 -42.32 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.28 -44.86 77.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -63.96 -46.19 85.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 110.766 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -65.2 -42.49 93.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.487 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.436 ' CE2' ' CE2' ' A' ' 34' ' ' PHE . 4.7 t80 -67.74 -48.1 67.4 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 34.6 m-85 -77.2 -30.6 54.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.87 -30.23 57.33 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.955 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -62.02 -18.39 60.4 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.635 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -101.82 -19.16 15.43 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.702 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 16.34 3.04 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.191 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.57 143.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.911 0.356 . . . . 0.0 110.559 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -153.09 -175.99 5.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 111.213 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.97 -145.09 18.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.435 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -151.07 158.37 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -72.78 118.78 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.234 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.5 p -112.75 139.54 48.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.537 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -70.81 143.61 51.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.2 157.96 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.21 132.52 48.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.721 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.82 140.56 36.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.927 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -136.22 156.43 48.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.679 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -126.17 122.83 36.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.937 0.399 . . . . 0.0 111.391 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.8 m -108.43 132.95 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.305 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -80.25 118.17 21.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.69 0.281 . . . . 0.0 111.344 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.1 m -92.12 119.44 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.273 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.91 155.81 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 111.049 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.0 m -147.32 -84.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.118 179.839 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.023 0.439 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -90.2 124.24 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.415 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 38.9 m-85 -108.96 128.69 55.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.353 0.597 . . . . 0.0 111.905 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -106.56 128.02 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -142.41 124.28 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.403 HD12 HG21 ' B' ' 6' ' ' ILE . 21.9 mt -96.66 117.35 40.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.569 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.439 ' CD1' ' CD1' ' B' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.244 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.408 ' O ' ' HB ' ' B' ' 25' ' ' THR . 13.0 t70 . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 121.355 0.598 . . . . 0.0 112.055 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.64 -44.89 57.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.56 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.87 72.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.87 0.367 . . . . 0.0 111.244 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 18.4 m -63.62 -40.82 97.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.637 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CD1' ' CD1' ' B' ' 7' ' ' LEU . 31.8 t80 -64.77 -46.9 80.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.52 -48.77 78.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.658 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -67.72 -45.55 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 63.0 t -63.05 -42.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.22 -44.88 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 11.9 tmtt? -63.93 -46.1 86.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.003 0.43 . . . . 0.0 110.798 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.2 -42.61 93.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.474 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.428 ' CE2' ' CE2' ' B' ' 34' ' ' PHE . 4.7 t80 -67.63 -48.23 67.35 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.428 ' CE2' ' CE2' ' B' ' 33' ' ' PHE . 34.6 m-85 -77.1 -30.75 55.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -54.84 -30.28 57.21 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.975 178.597 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -61.93 -18.41 60.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.739 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -101.82 -19.35 15.36 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.04 16.25 2.97 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.23 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.56 143.03 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.873 0.336 . . . . 0.0 110.524 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -153.13 -176.16 5.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.93 0.395 . . . . 0.0 111.203 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.12 -145.16 18.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.38 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -151.04 158.54 44.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -72.93 118.7 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.082 0.467 . . . . 0.0 111.219 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 61.6 p -112.75 139.67 48.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.416 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.88 143.58 50.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.87 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.22 157.91 36.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.752 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -66.16 132.57 48.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.752 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.91 140.75 36.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.962 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -136.83 156.57 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.487 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -126.0 123.44 38.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 0.0 111.338 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -108.81 132.97 53.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.257 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -80.43 118.24 21.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.314 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -92.17 119.4 31.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.366 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.78 155.77 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.6 m -147.32 -84.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.139 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -90.04 124.3 34.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.672 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 39.0 m-85 -109.21 128.81 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.398 0.618 . . . . 0.0 111.821 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -106.57 128.03 53.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.971 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 t -142.36 124.46 13.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.421 HD12 HG21 ' C' ' 6' ' ' ILE . 21.8 mt -96.71 117.24 40.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.505 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.435 ' CD1' ' CD1' ' C' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.083 179.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.1 t70 . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 121.413 0.625 . . . . 0.0 112.039 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.95 59.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.578 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 -31.96 73.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 111.224 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 18.1 m -63.77 -40.63 97.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.711 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.435 ' CD1' ' CD1' ' C' ' 7' ' ' LEU . 31.8 t80 -64.78 -46.84 80.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.55 -48.62 78.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.684 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -67.74 -45.53 74.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 63.0 t -63.12 -42.41 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.24 -44.99 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 12.0 tmtt? -63.79 -46.13 86.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.999 0.428 . . . . 0.0 110.781 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -65.24 -42.58 93.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.541 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.437 ' CE2' ' CE2' ' C' ' 34' ' ' PHE . 4.7 t80 -67.57 -48.35 67.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.437 ' CE2' ' CE2' ' C' ' 33' ' ' PHE . 34.5 m-85 -76.94 -30.67 56.17 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -54.87 -30.25 57.48 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.962 178.601 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -61.96 -18.43 60.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.728 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -101.7 -19.3 15.45 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.748 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.86 16.42 2.99 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.286 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -88.67 143.06 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.912 0.356 . . . . 0.0 110.51 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -153.09 -176.31 5.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 111.278 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.21 -145.08 18.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -151.14 158.57 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 111.005 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -72.97 118.7 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.286 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 60.5 p -112.79 139.65 48.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.83 143.57 51.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.872 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.23 157.9 36.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -66.29 132.67 48.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.799 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 140.64 36.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.009 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 20.3 m -136.41 156.51 48.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.623 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -126.28 122.74 36.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.051 0.453 . . . . 0.0 111.288 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 23.1 m -108.23 132.9 53.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.174 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -80.3 117.76 21.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.803 0.335 . . . . 0.0 111.331 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -91.64 119.38 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.387 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.87 155.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.041 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 89.5 m -147.37 -84.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.026 179.814 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.797 0.332 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -90.01 124.21 34.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.736 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 39.0 m-85 -109.05 128.78 55.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.285 0.565 . . . . 0.0 111.864 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -106.66 127.99 53.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 t -142.35 124.07 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 mt -96.4 117.14 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.479 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' D' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 121.277 0.561 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.51 -44.68 56.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.476 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -32.02 73.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.205 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 18.3 m -63.64 -40.6 97.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.789 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.426 ' CD1' ' CD1' ' D' ' 7' ' ' LEU . 32.0 t80 -64.89 -46.89 79.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.833 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . 0.403 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 45.7 mt-10 -57.52 -48.64 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.695 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -67.85 -45.48 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . 0.427 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 62.3 t -63.0 -42.4 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -70.35 -44.83 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.387 . . . . 0.0 112.029 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -63.97 -46.19 85.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.942 0.401 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -65.1 -42.54 93.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.549 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.437 ' CE2' ' CE2' ' D' ' 34' ' ' PHE . 4.7 t80 -67.86 -48.16 66.91 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.437 ' CE2' ' CE2' ' D' ' 33' ' ' PHE . 34.5 m-85 -77.06 -30.55 55.61 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -30.24 59.12 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.951 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -61.93 -18.49 60.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.691 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' D' ' 34' ' ' PHE . 6.0 m-80 -101.73 -19.34 15.42 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.93 16.29 3.0 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.265 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.48 143.11 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.922 0.361 . . . . 0.0 110.593 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -153.28 -176.18 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.986 0.422 . . . . 0.0 111.173 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.1 -145.0 18.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.384 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -151.1 158.54 44.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 111.001 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 83.8 m95 -72.85 118.66 16.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.057 0.456 . . . . 0.0 111.255 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 62.3 p -112.71 139.64 48.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.432 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.78 143.62 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.85 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 157.86 36.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.22 132.72 49.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.587 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.81 140.47 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.112 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 19.5 m -135.77 156.29 49.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.651 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -125.97 122.68 36.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.962 0.411 . . . . 0.0 111.19 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -108.46 132.84 53.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.247 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -80.27 117.92 21.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.771 0.32 . . . . 0.0 111.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 90.8 m -91.73 119.4 31.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.396 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.88 155.99 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.729 0.3 . . . . 0.0 110.995 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -147.52 -84.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.076 179.845 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.74 0.305 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -90.69 126.69 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.472 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.468 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 37.7 m-85 -109.3 126.25 53.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.377 0.608 . . . . 0.0 112.254 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -106.48 122.18 45.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.482 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.16 128.86 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 111.772 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -92.69 119.73 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.014 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.444 HD13 ' CE1' ' B' ' 34' ' ' PHE . 3.9 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.417 ' O ' ' HB ' ' A' ' 25' ' ' THR . 20.0 t70 . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.275 0.56 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.97 -43.47 66.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.206 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.84 -32.63 74.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.773 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 39.3 m -63.52 -37.87 88.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.243 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' B' ' 3' ' ' TYR . 30.4 t80 -64.11 -50.36 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.915 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -56.87 -49.25 76.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.805 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.38 -50.81 62.23 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.413 0.524 . . . . 0.0 112.413 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 66.1 t -64.27 -43.56 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.84 -45.6 76.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.153 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 74.5 tttt -64.88 -45.36 86.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.047 0.451 . . . . 0.0 110.635 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.92 -42.74 94.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.589 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 5.3 t80 -67.36 -47.27 70.91 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' B' ' 7' ' ' LEU . 30.3 m-85 -77.48 -29.97 52.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -55.0 -29.4 57.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.123 0.487 . . . . 0.0 110.919 179.318 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -60.72 -17.9 51.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.846 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 34' ' ' PHE . 13.2 p30 -103.56 -17.8 15.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.49 15.8 2.39 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.201 -1.0 . . . . 0.0 113.612 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -89.44 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.029 0.414 . . . . 0.0 111.014 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -156.7 -179.47 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.92 -144.54 17.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.248 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -148.84 156.23 42.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -73.04 118.54 16.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.5 p -110.98 140.52 45.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.423 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.74 143.01 51.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.722 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.85 158.67 35.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.15 130.35 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.709 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.79 142.77 33.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.874 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.1 m -137.57 156.36 48.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.367 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -125.1 120.54 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.007 0.432 . . . . 0.0 111.382 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -106.62 132.94 52.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.298 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.9 118.49 22.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.367 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -92.93 123.1 35.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.448 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.32 155.79 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.923 0.392 . . . . 0.0 111.158 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -148.97 -69.03 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.921 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.738 0.304 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.68 126.61 36.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.562 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.462 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 37.6 m-85 -109.29 126.23 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.364 0.602 . . . . 0.0 112.246 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.49 122.15 45.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.42 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.18 128.88 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.032 0.444 . . . . 0.0 111.742 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.1 mt -92.69 119.87 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.995 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 34' ' ' PHE . 3.9 tp . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' B' ' 25' ' ' THR . 19.7 t70 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 121.338 0.59 . . . . 0.0 111.903 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.63 67.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.211 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.59 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.766 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 39.1 m -63.54 -37.8 88.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.215 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.468 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 30.6 t80 -64.27 -50.37 68.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.876 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -56.8 -49.23 75.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.83 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.4 -50.77 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 66.2 t -64.32 -43.6 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' B' ' 26' ' ' PHE . 58.5 t -69.79 -45.62 76.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.173 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.434 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 74.4 tttt -64.94 -45.29 86.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 0.0 110.615 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.99 -42.67 94.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.609 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 5.4 t80 -67.44 -47.24 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.444 ' CE1' HD13 ' A' ' 7' ' ' LEU . 30.6 m-85 -77.56 -29.91 52.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 1.0 OUTLIER -54.98 -29.36 56.82 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.071 0.462 . . . . 0.0 110.899 179.266 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -60.78 -17.9 51.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.837 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 34' ' ' PHE . 13.1 p30 -103.57 -17.81 15.02 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.48 15.71 2.41 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.531 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.4 t -89.33 143.09 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 117.168 0.484 . . . . 0.0 111.015 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -156.76 -179.73 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.251 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.26 -144.43 17.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.28 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -148.95 156.2 41.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -72.99 118.53 16.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -110.92 140.4 45.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.444 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.62 142.87 51.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.76 158.72 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.08 130.09 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.31 142.43 31.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.714 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -137.41 156.29 48.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.356 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -125.14 120.57 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 111.397 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.64 133.07 51.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.347 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -81.1 118.5 22.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 90.0 m -92.88 123.23 35.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.41 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.41 155.89 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.97 0.414 . . . . 0.0 111.155 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.6 m -149.06 -69.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.004 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.71 126.65 36.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.471 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 37.7 m-85 -109.25 126.25 53.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.364 0.602 . . . . 0.0 112.225 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.54 122.08 45.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.404 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.11 128.87 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.713 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.2 mt -92.77 119.94 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.997 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.458 HD13 ' CE1' ' D' ' 34' ' ' PHE . 3.9 tp . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' C' ' 25' ' ' THR . 20.0 t70 . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.236 0.541 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.95 -43.57 66.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.205 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.57 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.838 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 40.0 m -63.56 -37.81 88.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.216 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.466 ' CD2' ' CD1' ' D' ' 3' ' ' TYR . 30.4 t80 -64.23 -50.32 68.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.878 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -56.86 -49.39 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.769 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.24 -50.87 62.3 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 66.9 t -64.25 -43.64 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.75 -45.71 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.19 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . 0.437 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 74.4 tttt -64.75 -45.43 86.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.065 0.46 . . . . 0.0 110.692 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.95 -42.62 94.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.677 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 5.3 t80 -67.37 -47.26 70.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' D' ' 7' ' ' LEU . 30.6 m-85 -77.47 -30.05 52.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 1.0 OUTLIER -54.94 -29.43 56.49 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.073 0.463 . . . . 0.0 110.865 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -60.79 -17.75 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.87 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' C' ' 34' ' ' PHE . 13.0 p30 -103.59 -17.86 14.99 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.46 15.84 2.39 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.196 -1.002 . . . . 0.0 113.545 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -89.44 143.16 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 117.073 0.437 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -156.77 -179.58 8.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.993 0.425 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.12 -144.48 17.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.254 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.84 156.25 42.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -73.0 118.45 15.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 81.9 p -110.88 140.56 45.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.343 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.7 142.99 51.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.724 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.95 158.77 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.936 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.22 130.41 43.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.74 142.63 33.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.779 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 26.4 m -137.4 156.31 48.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.387 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -125.11 120.5 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.396 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 24.3 m -106.52 133.02 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.315 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -80.88 118.49 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.356 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -92.96 123.17 36.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.482 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.32 155.84 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.142 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 54.5 m -149.06 -69.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.92 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.792 0.33 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.61 126.62 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.515 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.466 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 37.5 m-85 -109.32 126.28 53.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.37 0.605 . . . . 0.0 112.243 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.52 122.17 45.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.446 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.19 129.03 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.078 0.466 . . . . 0.0 111.71 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.3 mt -92.83 119.91 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.018 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.448 HD13 ' CE1' ' C' ' 34' ' ' PHE . 3.9 tp . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.422 ' O ' ' HB ' ' D' ' 25' ' ' THR . 19.8 t70 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 121.327 0.585 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.16 -43.79 67.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.179 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.54 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 41.2 m -63.51 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.224 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.471 ' CD2' ' CD1' ' C' ' 3' ' ' TYR . 30.2 t80 -64.17 -50.31 68.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.901 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -56.88 -49.32 75.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.8 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.35 -50.83 62.23 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 66.4 t -64.26 -43.61 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' D' ' 26' ' ' PHE . 58.6 t -69.83 -45.58 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.123 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . 0.432 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 74.5 tttt -64.88 -45.36 86.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.988 0.423 . . . . 0.0 110.637 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -65.02 -42.63 94.25 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.578 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 5.3 t80 -67.48 -47.3 70.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.458 ' CE1' HD13 ' C' ' 7' ' ' LEU . 30.5 m-85 -77.42 -30.04 53.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 1.0 OUTLIER -54.96 -29.45 56.82 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.015 0.436 . . . . 0.0 110.858 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -60.7 -17.77 50.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.942 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -103.62 -17.79 15.0 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.49 15.66 2.42 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.226 -0.987 . . . . 0.0 113.605 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.41 143.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 117.116 0.458 . . . . 0.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -156.65 -178.92 7.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.171 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.46 -144.63 18.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.312 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.84 156.26 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -72.95 118.42 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.236 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.6 p -110.9 140.47 45.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.526 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -70.6 142.96 51.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.762 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.86 158.75 35.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.11 130.04 41.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 142.48 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.699 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 26.9 m -137.58 156.34 48.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.314 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -125.0 120.61 32.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.401 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 24.3 m -106.71 132.94 52.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.377 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -80.93 118.56 22.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.403 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 91.2 m -92.98 123.11 35.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.514 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.32 155.8 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.24 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 53.5 m -148.95 -68.96 0.22 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.91 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.745 0.307 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -86.51 123.28 31.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.411 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.425 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.3 m-85 -110.73 130.45 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.402 0.62 . . . . 0.0 112.201 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -106.4 126.02 51.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.627 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.5 t -142.14 128.0 18.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.963 0.411 . . . . 0.0 111.303 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.41 HD11 HG21 ' A' ' 6' ' ' ILE . 23.8 mt -93.34 125.42 45.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.241 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 25' ' ' THR . 28.8 t70 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 121.418 0.628 . . . . 0.0 111.789 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.26 -44.68 33.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.613 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.64 68.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.262 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 98.7 m -62.2 -40.71 96.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.977 0.418 . . . . 0.0 110.448 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' B' ' 3' ' ' TYR . 19.6 t80 -66.98 -48.31 68.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.903 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 48.7 mt-10 -56.77 -52.4 65.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.013 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -67.29 -49.92 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.77 -42.5 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.8 t -71.37 -44.94 71.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.867 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -62.91 -46.22 88.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -63.26 -46.42 86.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.373 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.5 t80 -67.4 -46.38 73.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 39.1 m-85 -75.12 -33.45 61.59 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -31.02 63.19 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.989 0.424 . . . . 0.0 111.0 178.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -62.01 -17.65 57.89 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.119 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -105.74 -21.91 13.07 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.03 13.37 1.77 Allowed Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.319 -0.943 . . . . 0.0 114.183 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.3 t -89.31 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.557 0.679 . . . . 0.0 110.826 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.18 -179.02 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 111.111 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.37 -145.86 18.09 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.545 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -147.76 155.13 41.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.388 . . . . 0.0 110.986 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 97.6 m95 -73.32 117.73 15.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.197 0.522 . . . . 0.0 111.381 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -111.07 141.62 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.325 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -69.89 144.87 52.35 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.817 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.35 159.83 33.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -66.22 126.32 28.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.5 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 144.01 28.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.948 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -139.47 156.64 46.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.469 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -124.56 119.63 29.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.991 0.424 . . . . 0.0 111.348 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.9 m -105.28 133.66 49.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.459 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -80.14 118.72 22.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -91.9 123.21 35.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.373 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.48 154.93 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.2 m -147.66 -68.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.065 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.849 0.357 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.41 123.12 31.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.353 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.426 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -110.72 130.59 55.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.369 0.604 . . . . 0.0 112.287 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -106.39 126.07 51.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.612 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -142.13 127.89 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.369 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.407 HD11 HG21 ' B' ' 6' ' ' ILE . 24.4 mt -93.13 125.51 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.59 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.411 HD12 ' CD1' ' B' ' 26' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.326 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' B' ' 25' ' ' THR . 28.3 t70 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.398 0.618 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.22 -44.89 33.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.561 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.2 -28.52 68.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.283 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 98.8 m -62.34 -40.7 97.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.019 0.437 . . . . 0.0 110.55 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 19.4 t80 -66.93 -48.21 69.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.889 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.404 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 48.5 mt-10 -56.79 -52.31 65.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.096 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -67.41 -49.86 61.98 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.81 -42.57 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 64.7 t -71.36 -44.9 71.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.873 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -62.9 -46.1 89.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.0 110.629 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.35 -46.38 86.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.388 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.497 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.5 t80 -67.4 -46.41 73.29 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.497 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 39.1 m-85 -75.03 -33.29 61.76 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -30.98 63.35 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.978 0.418 . . . . 0.0 110.973 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.01 -17.66 57.95 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.096 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -105.89 -21.66 13.1 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.73 13.53 1.81 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.334 -0.936 . . . . 0.0 114.164 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -89.3 143.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 117.527 0.664 . . . . 0.0 110.763 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -157.44 -179.24 7.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.116 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.45 -145.77 18.03 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -147.92 155.01 41.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.85 0.357 . . . . 0.0 110.98 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.404 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 97.5 m95 -73.32 117.86 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.233 0.54 . . . . 0.0 111.41 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.7 p -111.24 141.65 44.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.417 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -69.86 144.79 52.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.859 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 159.86 33.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -66.07 126.02 27.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.48 144.13 26.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.123 0.487 . . . . 0.0 111.888 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.2 m -139.57 156.71 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.487 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -124.64 119.58 29.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.066 0.46 . . . . 0.0 111.382 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 50.0 m -105.19 133.53 49.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.403 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -80.03 118.19 21.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.225 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 93.0 m -91.48 123.12 34.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.34 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.44 154.89 7.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 110.983 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.6 m -147.48 -67.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.084 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tpt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.901 0.382 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -86.38 123.17 31.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.42 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.4 m-85 -110.71 130.37 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.276 0.56 . . . . 0.0 112.244 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -106.31 126.13 51.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.601 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -142.25 127.75 17.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.399 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.423 HD11 HG21 ' C' ' 6' ' ' ILE . 23.7 mt -93.18 125.56 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.545 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.41 HD12 ' CD1' ' C' ' 26' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.193 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.425 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.2 t70 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.423 0.63 . . . . 0.0 111.819 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.15 -44.85 32.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.633 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.39 -28.48 67.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.304 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 99.4 m -62.23 -40.83 97.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.953 0.406 . . . . 0.0 110.455 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 19.3 t80 -66.88 -47.98 70.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.944 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.407 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 49.5 mt-10 -56.98 -52.31 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.041 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -67.51 -49.66 62.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.78 -42.7 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 64.9 t -71.21 -44.84 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.951 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -63.07 -46.04 89.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.619 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -63.23 -46.32 87.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.431 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.497 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.3 t80 -67.56 -46.35 72.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.497 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 39.2 m-85 -75.09 -33.25 61.61 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -31.03 63.51 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.953 0.406 . . . . 0.0 110.911 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.91 -17.67 57.51 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.146 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -105.91 -21.73 13.08 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.97 13.29 1.79 Allowed Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.286 -0.959 . . . . 0.0 114.196 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 31.7 t -89.3 143.33 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 117.6 0.7 . . . . 0.0 110.779 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -157.27 -179.11 7.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.958 0.409 . . . . 0.0 111.091 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.5 -145.84 18.02 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -147.68 155.04 41.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.901 0.381 . . . . 0.0 111.008 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . 0.407 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 97.5 m95 -73.44 117.58 15.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.199 0.523 . . . . 0.0 111.29 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -111.13 141.87 44.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.326 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -69.88 145.02 52.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.923 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.55 159.69 33.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.17 126.02 27.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.4 143.93 27.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.1 0.476 . . . . 0.0 111.918 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -139.47 156.67 46.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.49 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -124.55 119.66 29.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 111.357 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 48.3 m -105.36 133.55 49.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.397 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -80.12 118.16 21.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 95.0 m -91.32 123.25 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.42 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.53 154.88 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 38.8 m -147.74 -67.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.059 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.23 123.06 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.375 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.42 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.0 m-85 -110.7 130.6 55.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.334 0.588 . . . . 0.0 112.185 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -106.42 126.23 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.617 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.18 128.0 18.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.963 0.411 . . . . 0.0 111.444 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -93.3 125.54 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.512 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.403 HD12 ' CD1' ' D' ' 26' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.212 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' D' ' 25' ' ' THR . 28.6 t70 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 121.41 0.624 . . . . 0.0 111.7 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.22 -44.74 33.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.582 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.7 68.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.307 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 99.0 m -62.23 -40.57 96.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.514 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' C' ' 3' ' ' TYR . 19.5 t80 -67.08 -48.3 68.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.832 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . 0.406 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 49.2 mt-10 -56.75 -52.37 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.052 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -67.32 -49.68 63.13 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.91 -42.56 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 65.3 t -71.23 -45.02 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.916 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.82 -46.22 88.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.584 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -63.3 -46.47 86.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.314 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.4 t80 -67.35 -46.46 73.33 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 39.2 m-85 -74.93 -33.33 61.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -30.98 63.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.945 0.403 . . . . 0.0 111.024 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.1 -17.63 58.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.106 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -105.76 -21.88 13.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.95 13.34 1.79 Allowed Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.274 -0.965 . . . . 0.0 114.213 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 29.3 t -89.31 143.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 117.542 0.671 . . . . 0.0 110.732 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -157.21 -179.16 7.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 111.085 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.49 -145.88 18.03 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -147.79 155.05 41.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.847 0.356 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . 0.406 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 97.5 m95 -73.24 117.64 15.24 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.211 0.529 . . . . 0.0 111.411 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 65.0 p -111.02 141.79 44.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.416 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.1 144.87 51.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.857 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.34 159.7 33.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.06 126.35 28.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.55 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.79 144.1 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.132 0.492 . . . . 0.0 111.954 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -139.44 156.61 46.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.428 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -124.56 119.66 29.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.074 0.464 . . . . 0.0 111.375 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 49.7 m -105.26 133.59 49.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.392 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -80.09 118.04 21.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.0 m -91.41 123.29 34.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.408 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.44 154.77 7.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.956 0.408 . . . . 0.0 111.031 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 39.9 m -147.47 -67.87 0.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.843 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.032 179.805 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.41 121.62 31.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.127 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.411 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 41.1 m-85 -106.21 128.9 54.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.445 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.36 133.01 51.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -142.34 127.15 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -100.89 117.29 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 111.443 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.004 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 25' ' ' THR . 35.0 t70 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 121.371 0.605 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.51 -41.49 53.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.544 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.13 71.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.356 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 15.3 m -63.85 -41.06 97.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.619 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.407 ' CD2' ' CD1' ' B' ' 3' ' ' TYR . 40.9 t80 -66.81 -46.91 73.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.04 0.448 . . . . 0.0 111.009 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 3.2 tt0 -54.89 -50.8 67.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.258 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -67.08 -44.62 79.59 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG22 ' CZ ' ' B' ' 33' ' ' PHE . 64.7 t -62.44 -41.34 91.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.94 -47.11 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -62.62 -46.0 90.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.959 0.409 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.78 -40.59 92.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.761 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CZ ' HG22 ' B' ' 29' ' ' VAL . 4.5 t80 -68.35 -49.59 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.403 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 30.2 m-85 -76.78 -30.99 56.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.67 -31.06 57.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 111.186 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -17.89 58.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.803 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -103.49 -19.93 14.22 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.0 15.85 3.06 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.501 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.6 t -88.99 142.73 12.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 117.234 0.517 . . . . 0.0 110.279 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -155.76 -177.48 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.43 . . . . 0.0 111.23 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.01 -145.21 18.15 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.259 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -148.61 155.96 41.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.934 0.397 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.419 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 83.6 m95 -73.13 121.02 19.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.394 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.7 p -113.02 138.43 49.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.363 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.84 142.61 53.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.617 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.66 158.73 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.701 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -66.32 131.73 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.724 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.45 141.98 34.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.044 0.45 . . . . 0.0 111.719 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.8 m -136.63 156.73 48.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.765 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -120.66 126.91 51.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.003 0.43 . . . . 0.0 111.231 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.2 m -115.29 129.93 56.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.42 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -81.04 121.19 25.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.557 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -96.52 122.22 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.061 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -71.04 155.59 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.216 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.1 m -148.53 -69.6 0.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.919 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.4 121.59 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.041 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.407 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 40.8 m-85 -106.2 128.87 54.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.509 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.31 132.86 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.32 127.12 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.685 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.5 mt -100.93 117.34 46.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 111.512 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' B' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.067 179.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.409 ' O ' ' HB ' ' B' ' 25' ' ' THR . 33.8 t70 . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 121.378 0.608 . . . . 0.0 112.269 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.68 -41.79 56.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.472 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.19 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.314 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 14.9 m -63.88 -40.82 97.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.665 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.411 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 41.0 t80 -66.99 -46.95 72.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.42 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 3.1 tt0 -54.87 -50.77 67.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.318 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -66.99 -44.76 79.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.419 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 64.6 t -62.36 -41.3 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 36.2 t -67.96 -47.17 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -62.57 -45.92 90.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.975 0.417 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.87 -40.72 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.755 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.416 ' CZ ' HG22 ' A' ' 29' ' ' VAL . 4.5 t80 -68.23 -49.48 60.38 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.401 ' CE2' ' CE2' ' B' ' 33' ' ' PHE . 30.1 m-85 -76.76 -31.1 56.85 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.67 -30.99 56.99 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.856 0.36 . . . . 0.0 111.219 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -17.74 58.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.836 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -103.62 -20.06 14.13 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.12 15.96 3.0 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.437 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.5 t -89.14 142.8 12.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 117.223 0.512 . . . . 0.0 110.176 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -155.81 -177.37 6.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.384 . . . . 0.0 111.121 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.92 -145.35 18.2 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.265 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -148.61 155.87 41.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.42 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 83.5 m95 -72.9 120.99 19.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.432 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 81.2 p -113.01 138.54 49.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.37 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -69.82 142.7 53.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.692 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.63 158.56 35.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.686 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -66.21 131.92 47.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.39 141.56 35.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.059 0.456 . . . . 0.0 111.689 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -136.39 156.67 48.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.735 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -120.64 127.09 51.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.033 0.444 . . . . 0.0 111.259 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 53.3 m -115.41 129.98 56.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.455 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -81.11 121.24 25.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.553 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -96.59 121.94 38.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.086 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 t -70.8 155.43 7.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.927 0.394 . . . . 0.0 111.204 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.2 m -148.22 -69.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.917 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.749 0.309 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -89.5 121.69 31.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.419 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 41.0 m-85 -106.17 128.94 54.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.443 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.46 133.04 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -142.23 127.19 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.712 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -100.98 117.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.75 0.31 . . . . 0.0 111.559 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' C' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.088 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.419 ' O ' ' HB ' ' C' ' 25' ' ' THR . 34.1 t70 . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 121.49 0.662 . . . . 0.0 112.163 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.67 -41.82 55.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.506 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.14 -31.04 71.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.289 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 14.8 m -63.75 -41.01 98.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.68 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.415 ' CD2' ' CD1' ' D' ' 3' ' ' TYR . 40.5 t80 -66.76 -47.14 73.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.091 0.472 . . . . 0.0 110.988 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.416 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 3.2 tt0 -54.79 -50.85 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.211 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -66.84 -44.98 79.64 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . 0.405 HG22 ' CZ ' ' D' ' 33' ' ' PHE . 64.0 t -62.21 -41.5 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 37.0 t -68.01 -46.97 80.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -62.51 -46.1 89.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.962 0.41 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -65.78 -40.71 92.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.785 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.403 ' CZ ' HG22 ' D' ' 29' ' ' VAL . 4.5 t80 -68.21 -49.54 60.12 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -76.68 -31.15 57.09 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.6 -30.98 56.19 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 111.284 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.98 -17.91 58.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.789 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -103.47 -20.01 14.2 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.16 15.84 3.02 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.56 -0.829 . . . . 0.0 113.468 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.02 142.82 12.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 117.227 0.514 . . . . 0.0 110.198 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -155.82 -177.39 6.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 111.179 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.78 -145.24 18.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.19 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -148.76 155.96 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.981 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . 0.416 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 83.4 m95 -73.04 121.04 19.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.442 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -112.98 138.45 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.374 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.89 142.57 52.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.688 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.56 158.75 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.754 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -66.32 131.95 47.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.3 141.55 35.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.058 0.456 . . . . 0.0 111.664 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -136.36 156.67 48.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.736 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -120.81 126.92 51.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.061 0.458 . . . . 0.0 111.16 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 53.6 m -115.28 130.07 56.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.295 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -81.12 121.12 25.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.55 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -96.43 122.05 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.117 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 t -70.94 155.54 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.967 0.413 . . . . 0.0 111.14 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -148.33 -69.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.863 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.721 0.296 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -89.46 121.5 31.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.415 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 40.8 m-85 -106.11 128.82 54.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.473 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -106.33 132.99 51.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.38 127.06 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.688 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mt -100.74 117.3 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 111.559 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.403 HD13 ' CD1' ' D' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.064 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' D' ' 25' ' ' THR . 35.0 t70 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.365 0.602 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.45 -41.49 52.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.49 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.1 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.377 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 15.2 m -63.74 -41.1 98.08 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.649 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.419 ' CD2' ' CD1' ' C' ' 3' ' ' TYR . 40.6 t80 -66.76 -46.99 73.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.077 0.465 . . . . 0.0 110.999 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . 0.418 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 3.2 tt0 -54.86 -50.88 67.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.187 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -66.95 -44.76 79.76 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . 0.403 HG22 ' CZ ' ' C' ' 33' ' ' PHE . 64.4 t -62.31 -41.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.94 -47.08 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -62.64 -45.93 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.82 -40.61 92.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.838 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.405 ' CZ ' HG22 ' C' ' 29' ' ' VAL . 4.5 t80 -68.39 -49.4 60.35 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.404 ' CE2' ' CE2' ' D' ' 33' ' ' PHE . 30.2 m-85 -76.8 -30.99 56.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -31.06 57.36 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.935 0.398 . . . . 0.0 111.274 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.92 -17.89 58.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.842 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -103.58 -19.91 14.19 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.04 16.01 3.02 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.472 -0.871 . . . . 0.0 113.42 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.16 142.82 12.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 117.247 0.523 . . . . 0.0 110.174 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -155.83 -177.4 6.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 0.0 111.149 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.81 -145.18 18.2 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.133 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -148.81 155.95 41.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.378 . . . . 0.0 110.955 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . 0.418 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 83.4 m95 -72.92 121.01 19.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.423 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.1 p -112.94 138.39 49.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.405 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -69.73 142.69 53.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.61 158.57 35.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -66.11 131.68 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.3 141.78 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.678 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 13.9 m -136.52 156.77 48.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.808 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -120.76 127.09 51.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.041 0.448 . . . . 0.0 111.182 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 53.0 m -115.37 130.04 56.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.51 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -81.21 121.17 25.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.466 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 94.2 m -96.53 122.04 39.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.1 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 t -70.86 155.63 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 111.172 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 56.8 m -148.55 -69.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.079 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.877 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.777 0.322 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -88.83 122.21 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.401 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.424 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 40.7 m-85 -108.52 132.67 53.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 111.896 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -106.59 129.58 54.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.8 t -142.34 125.0 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.61 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.24 117.21 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.717 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.188 178.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.7 t0 . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.274 0.559 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.09 -43.14 61.0 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.073 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.21 -30.24 68.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.216 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 30.7 m -61.71 -37.88 85.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.002 0.43 . . . . 0.0 110.392 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CD1' HD13 ' A' ' 7' ' ' LEU . 16.0 t80 -68.32 -48.73 64.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.024 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.24 -53.64 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.293 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -67.8 -47.55 68.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.07 -41.81 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -69.74 -45.7 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -63.26 -45.15 92.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.03 0.443 . . . . 0.0 110.536 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -45.41 90.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.213 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 3.9 t80 -67.05 -47.08 72.43 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 38.1 m-85 -74.84 -32.88 62.04 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -30.5 62.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.943 0.401 . . . . 0.0 111.085 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -61.36 -17.47 54.1 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.359 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -107.78 -20.47 13.2 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.8 14.52 1.67 Allowed Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.246 -0.978 . . . . 0.0 114.235 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.73 143.53 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 117.651 0.726 . . . . 0.0 110.741 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -153.56 -178.2 6.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 111.049 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.94 -145.56 18.72 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.727 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -150.34 157.87 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.924 0.392 . . . . 0.0 111.135 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -72.9 119.9 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.236 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -113.71 139.98 48.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.524 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.03 142.57 50.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.92 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.56 160.34 32.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -66.07 132.23 48.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.337 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.38 139.79 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.085 0.469 . . . . 0.0 112.019 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -132.22 156.53 46.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.523 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -124.4 122.55 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.027 0.441 . . . . 0.0 111.287 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -109.46 128.36 55.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.194 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.05 113.55 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.247 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -91.69 124.57 35.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.364 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 t -71.44 156.77 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.186 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.0 m -143.93 -77.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.444 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.01 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.836 0.35 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -88.82 122.08 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.545 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 40.5 m-85 -108.67 132.53 53.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.274 0.559 . . . . 0.0 111.853 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -106.43 129.82 54.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.074 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.37 125.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.656 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 19.5 mt -98.42 117.26 43.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.734 0.302 . . . . 0.0 111.795 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' B' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.234 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' B' ' 25' ' ' THR . 27.9 t0 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 121.492 0.663 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.27 -43.46 61.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.232 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.11 68.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.285 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 31.5 m -61.83 -37.8 85.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.439 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 16.6 t80 -68.45 -48.63 64.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.962 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.45 -53.47 53.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.209 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -67.79 -47.58 68.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -63.01 -41.88 94.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.67 -45.78 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -63.12 -45.2 93.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -45.52 90.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.225 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.0 t80 -66.89 -47.12 72.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 37.8 m-85 -74.89 -32.81 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -30.53 62.98 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.944 0.402 . . . . 0.0 111.122 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -61.34 -17.45 53.93 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.388 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -107.76 -20.07 13.33 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.17 14.81 1.75 Allowed Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.18 -1.01 . . . . 0.0 114.24 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.96 143.47 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 117.606 0.703 . . . . 0.0 110.672 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -153.39 -178.33 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.052 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.15 -145.64 18.69 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.781 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -150.32 157.81 43.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.84 0.353 . . . . 0.0 111.221 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -72.95 119.88 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.24 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.2 p -113.8 140.1 48.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.498 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.0 142.42 50.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.917 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.46 160.45 32.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.07 132.11 47.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.559 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.08 139.4 35.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.094 0.473 . . . . 0.0 111.822 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 10.0 m -132.1 156.59 46.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -124.64 122.2 36.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.065 0.459 . . . . 0.0 111.43 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 54.5 m -109.2 128.41 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.107 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -82.17 113.23 19.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.292 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -91.34 124.54 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.302 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 t -71.62 156.91 6.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.214 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 60.0 m -143.93 -77.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.354 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.957 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.759 0.314 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -88.76 122.19 31.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.593 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.413 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 40.6 m-85 -108.54 132.62 53.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.245 0.545 . . . . 0.0 111.904 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -106.61 129.69 54.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.34 124.95 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.622 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 18.6 mt -98.16 117.26 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.748 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.414 HD13 ' CD1' ' C' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' C' ' 25' ' ' THR . 29.9 t0 . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.43 0.633 . . . . 0.0 111.575 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.29 61.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.119 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.08 -30.06 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.244 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 30.9 m -61.85 -37.83 85.96 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.043 0.449 . . . . 0.0 110.457 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 16.2 t80 -68.37 -48.77 63.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.941 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -54.24 -53.59 51.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.294 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -67.83 -47.47 68.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -63.06 -41.82 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.61 -45.7 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -63.3 -45.13 92.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.035 0.445 . . . . 0.0 110.616 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.55 -45.16 91.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.264 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 3.9 t80 -67.18 -47.11 71.95 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 38.5 m-85 -74.91 -32.91 61.92 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.44 -30.51 62.93 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.005 0.431 . . . . 0.0 111.114 178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.32 -17.38 53.45 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.387 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -107.9 -20.26 13.25 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.49 14.52 1.73 Allowed Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.244 -0.979 . . . . 0.0 114.363 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.72 143.52 11.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 117.5 0.65 . . . . 0.0 110.694 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -153.61 -178.1 6.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.019 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.9 -145.51 18.71 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.784 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -150.31 157.86 43.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 111.151 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -73.04 120.05 18.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.235 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -113.86 140.02 48.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.541 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -70.91 142.31 51.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.94 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.27 160.44 32.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.23 132.42 48.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.37 139.54 36.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.082 0.468 . . . . 0.0 111.904 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 10.9 m -131.98 156.55 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.421 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -124.39 122.39 37.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 111.314 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 53.8 m -109.4 128.35 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.158 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -82.24 113.54 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -91.57 124.54 35.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.373 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 t -71.36 156.86 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 111.137 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 61.4 m -144.0 -77.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.409 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.94 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.823 0.344 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -88.8 122.1 31.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.473 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.419 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 41.1 m-85 -108.58 132.65 53.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.212 0.53 . . . . 0.0 111.919 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -106.55 129.9 54.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 20.2 t -142.36 124.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.671 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 18.7 mt -98.39 117.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.769 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' D' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.054 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' D' ' 25' ' ' THR . 31.1 t0 . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.365 0.602 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.06 -43.19 60.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.12 68.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.305 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 31.6 m -61.83 -37.92 86.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.086 0.47 . . . . 0.0 110.427 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.419 ' CD1' HD13 ' D' ' 7' ' ' LEU . 16.3 t80 -68.33 -48.61 64.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.981 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.34 -53.48 53.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.282 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -67.88 -47.52 68.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.12 -41.82 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.61 -45.9 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -63.17 -45.15 93.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.941 0.401 . . . . 0.0 110.478 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -45.45 90.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.3 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.499 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 3.9 t80 -66.95 -47.19 72.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 38.1 m-85 -74.87 -32.86 61.98 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -30.49 62.84 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.005 0.431 . . . . 0.0 111.107 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.41 -17.41 54.05 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.368 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -107.76 -20.06 13.33 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.31 14.62 1.75 Allowed Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.229 -0.986 . . . . 0.0 114.203 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.86 143.49 11.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 117.622 0.711 . . . . 0.0 110.718 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -153.53 -178.31 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.022 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.16 -145.8 18.71 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.844 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -150.15 157.75 43.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 111.21 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -72.98 120.05 18.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.254 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -113.86 140.01 48.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.559 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -71.04 142.58 50.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.883 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.55 160.26 32.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -66.0 132.42 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.466 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.66 139.83 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 111.952 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 10.3 m -132.13 156.63 46.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.612 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -124.59 121.99 36.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.988 0.423 . . . . 0.0 111.326 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -108.99 128.46 54.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.177 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.17 113.28 19.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -91.32 124.6 35.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.342 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 t -71.67 156.7 6.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 0.0 111.109 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 59.8 m -143.78 -77.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.416 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.905 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -91.62 124.89 36.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.161 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 43.5 m-85 -108.84 133.57 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.231 0.538 . . . . 0.0 112.093 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -106.66 126.38 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.559 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.4 t -141.8 130.01 21.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.607 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' B' ' 1' ' ' MET . 24.9 mt -95.61 123.07 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.348 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.274 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' A' ' 25' ' ' THR . 9.9 t70 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.29 0.567 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.0 -44.69 30.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.483 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.41 -28.51 67.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.322 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 95.6 m -61.81 -40.49 95.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.019 0.438 . . . . 0.0 110.511 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CD2' ' CD1' ' B' ' 3' ' ' TYR . 19.2 t80 -66.9 -49.18 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.873 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.04 -53.8 52.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.2 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -65.9 -49.71 67.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.53 -41.54 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.6 t -71.42 -46.12 65.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 35.2 tttt -62.88 -45.59 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.693 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -63.3 -46.03 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.042 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.516 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.9 t80 -67.65 -46.48 72.3 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 38.7 m-85 -74.82 -33.56 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -55.87 -31.02 62.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.012 0.434 . . . . 0.0 110.868 178.707 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.65 -18.3 58.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.08 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -105.02 -20.71 13.44 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.81 15.34 1.75 Allowed Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.106 -1.045 . . . . 0.0 114.049 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 t -90.12 143.07 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 117.34 0.57 . . . . 0.0 110.861 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -155.22 179.97 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.012 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.96 -144.66 17.97 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.399 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -148.73 156.16 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -73.32 118.9 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.065 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.1 p -111.61 139.91 46.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.747 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.85 141.11 49.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.491 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.51 160.1 33.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.646 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.69 136.86 56.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.469 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.05 138.4 44.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.181 0.515 . . . . 0.0 111.952 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.2 m -126.67 156.51 40.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.501 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -125.02 115.97 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -107.04 127.72 53.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.375 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -81.05 115.23 20.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.486 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -91.43 124.04 35.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.388 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 t -71.47 156.77 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 111.275 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.9 m -148.19 -69.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.916 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.419 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -91.49 124.71 35.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.236 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 44.2 m-85 -108.79 133.5 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.224 0.535 . . . . 0.0 112.072 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -106.45 126.51 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.615 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -141.92 129.87 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 111.586 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 1' ' ' MET . 25.6 mt -95.52 123.24 47.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.273 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.409 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' B' ' 25' ' ' THR . 10.1 t70 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.314 0.578 . . . . 0.0 111.555 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.96 -44.62 30.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.419 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.48 -28.51 67.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.384 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 93.6 m -61.89 -40.55 95.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.404 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.424 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 19.1 t80 -66.78 -49.31 66.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.8 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -55.91 -53.85 51.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.175 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -65.99 -49.49 67.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.61 -41.63 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.24 -46.42 65.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -62.68 -45.56 92.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.389 . . . . 0.0 110.718 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -63.29 -46.0 88.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.154 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.509 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.9 t80 -67.62 -46.58 72.11 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.509 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 38.6 m-85 -74.85 -33.53 62.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.86 -30.87 62.18 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.988 0.423 . . . . 0.0 110.84 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.82 -18.37 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.988 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -104.96 -20.73 13.45 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.82 15.04 1.79 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.102 -1.047 . . . . 0.0 114.087 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.1 t -89.91 142.98 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 117.346 0.573 . . . . 0.0 110.921 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -155.16 179.86 8.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.081 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.26 -144.56 17.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -148.92 156.08 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.28 118.76 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.2 p -111.46 139.89 46.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.79 141.18 49.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.525 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.56 160.17 33.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.67 136.77 56.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.55 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.89 138.37 43.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.142 0.496 . . . . 0.0 111.914 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 47.9 m -126.64 156.61 40.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.473 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -125.08 115.93 21.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.013 0.435 . . . . 0.0 111.079 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 55.4 m -107.1 127.87 53.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.319 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -81.04 115.13 20.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.503 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.9 m -91.38 123.93 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.356 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 t -71.4 156.83 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 0.0 111.24 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 58.2 m -148.36 -69.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.95 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.423 ' O ' ' HA ' ' D' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -91.67 124.88 36.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.225 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.431 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 43.6 m-85 -108.78 133.47 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.277 0.561 . . . . 0.0 112.09 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -106.52 126.43 52.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.527 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 18.9 t -141.9 129.91 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.493 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' D' ' 1' ' ' MET . 25.2 mt -95.55 123.13 47.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.344 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.179 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' C' ' 25' ' ' THR . 9.8 t70 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 121.283 0.563 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.03 -44.72 31.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.455 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.4 -28.42 67.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.379 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 93.9 m -61.86 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 110.415 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.439 ' CD2' ' CD1' ' D' ' 3' ' ' TYR . 19.3 t80 -67.05 -49.26 65.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.773 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -55.94 -53.94 50.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.162 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -65.94 -49.81 66.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.37 -41.47 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 70.9 t -71.45 -46.08 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -62.85 -45.67 91.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.938 0.399 . . . . 0.0 110.729 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -63.11 -46.18 88.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.503 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 5.0 t80 -67.46 -46.59 72.6 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.503 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 38.6 m-85 -74.88 -33.55 62.09 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -30.92 62.24 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.801 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -61.77 -18.3 59.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.997 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -105.0 -20.79 13.42 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.79 15.3 1.76 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.099 -1.048 . . . . 0.0 114.051 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 t -90.04 142.89 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 117.377 0.588 . . . . 0.0 110.917 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -155.17 179.92 8.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.925 0.393 . . . . 0.0 111.04 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.1 -144.62 17.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.359 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -148.89 156.07 41.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.906 0.384 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.25 118.76 16.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 66.3 p -111.36 139.86 46.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.735 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -71.77 141.07 49.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.51 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.55 160.16 33.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.655 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.66 136.89 56.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.498 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.97 138.27 44.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.057 0.456 . . . . 0.0 111.984 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 46.8 m -126.61 156.58 40.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.433 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -125.0 115.88 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -107.02 127.8 53.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.414 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -81.05 115.25 20.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.641 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 88.4 m -91.46 124.01 35.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.371 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 t -71.46 156.71 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 111.283 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 57.3 m -148.2 -68.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 1' ' ' MET . . . . . 0.418 ' O ' ' HA ' ' C' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -91.66 124.7 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.145 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.439 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 43.8 m-85 -108.61 133.46 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.227 0.537 . . . . 0.0 112.067 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -106.53 126.39 52.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.596 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -141.78 129.92 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.601 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' C' ' 1' ' ' MET . 26.0 mt -95.55 123.19 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.358 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.412 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' D' ' 25' ' ' THR . 10.2 t70 . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 121.337 0.589 . . . . 0.0 111.511 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.07 -44.5 31.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.512 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.49 67.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.346 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 94.7 m -61.74 -40.61 95.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.458 . . . . 0.0 110.485 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' C' ' 3' ' ' TYR . 19.3 t80 -66.86 -49.22 66.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.04 -53.79 52.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.196 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -66.06 -49.48 67.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.56 -41.64 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 67.7 t -71.26 -46.25 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -62.79 -45.63 91.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.635 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -63.32 -45.93 89.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.511 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.9 t80 -67.61 -46.56 72.2 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.511 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 38.5 m-85 -74.87 -33.58 62.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -30.89 62.19 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.983 0.42 . . . . 0.0 110.881 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -61.81 -18.42 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.919 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -104.91 -20.58 13.51 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.81 14.97 1.8 Allowed Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.098 -1.048 . . . . 0.0 114.058 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 t -90.0 142.99 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 117.446 0.623 . . . . 0.0 110.88 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -155.14 -179.98 8.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.99 -144.66 17.97 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -148.8 156.13 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.34 118.9 16.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.024 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -111.5 139.93 46.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.717 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.75 141.05 49.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.508 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.49 160.08 33.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.667 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.56 136.93 56.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.63 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.9 138.4 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.969 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 47.6 m -126.85 156.54 41.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.42 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -124.99 115.96 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.385 . . . . 0.0 111.231 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -107.04 127.87 53.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.37 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -81.18 115.3 20.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.51 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 82.6 m -91.57 123.93 35.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.33 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 t -71.47 156.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.942 0.401 . . . . 0.0 111.268 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 57.6 m -147.94 -68.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.96 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.729 0.299 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -89.4 122.61 32.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.468 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CD2' ' CD2' ' B' ' 26' ' ' PHE . 41.4 m-85 -110.53 135.26 51.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.479 0.657 . . . . 0.0 112.375 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -106.49 132.65 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.774 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.2 127.56 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 mt -98.58 125.19 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.478 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.418 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' A' ' 25' ' ' THR . 1.9 m-20 . . . . . 0 CA--C 1.519 -0.237 0 CA-C-O 121.28 0.562 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.42 -43.72 44.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.14 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.58 -29.46 68.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.347 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 73.9 m -62.56 -39.95 95.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CD2' ' CD2' ' B' ' 3' ' ' TYR . 19.4 t80 -67.42 -43.69 80.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.722 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 2.6 tt0 -58.53 -53.93 52.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.25 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -68.17 -46.72 69.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.36 -43.36 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.419 HG22 ' CD2' ' A' ' 26' ' ' PHE . 48.5 t -72.12 -43.91 65.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -63.45 -46.48 86.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 110.79 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -64.18 -44.66 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.386 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.512 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 5.1 t80 -67.8 -47.68 68.41 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.512 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 40.8 m-85 -74.22 -32.81 63.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -30.42 63.75 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.104 0.478 . . . . 0.0 110.734 178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.54 -18.38 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.912 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -105.99 -21.74 13.07 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.45 13.92 1.81 Allowed Glycine 0 CA--C 1.521 0.406 0 C-N-CA 120.166 -1.016 . . . . 0.0 114.021 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.12 143.31 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 117.294 0.547 . . . . 0.0 110.83 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.85 -179.49 8.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.996 0.427 . . . . 0.0 111.245 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.98 -145.11 18.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.404 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -147.78 154.81 40.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.378 . . . . 0.0 111.034 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.435 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 89.8 m95 -74.05 118.68 17.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.182 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.0 p -110.38 141.51 43.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.527 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.22 141.16 52.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.479 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.28 160.95 31.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.009 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -65.67 127.45 31.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.565 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.55 144.05 27.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.794 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -140.77 156.35 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.287 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -121.81 123.73 42.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.019 0.437 . . . . 0.0 111.283 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -106.93 131.05 54.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.405 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -80.56 119.44 23.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -94.51 124.0 38.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.354 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.98 156.04 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.424 . . . . 0.0 111.196 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.6 m -149.54 -67.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.904 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -89.27 122.53 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.457 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.436 ' CD2' ' CD2' ' A' ' 26' ' ' PHE . 41.7 m-85 -110.35 135.2 51.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.483 0.658 . . . . 0.0 112.308 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -106.53 132.68 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.729 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.24 127.44 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 22.2 mt -98.43 125.25 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.366 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.419 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.33 -0.248 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' B' ' 25' ' ' THR . 2.0 m-20 . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 121.448 0.642 . . . . 0.0 111.825 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.66 -43.89 47.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.126 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.27 -29.47 69.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.383 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 75.0 m -62.76 -39.82 95.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CD2' ' CD2' ' A' ' 3' ' ' TYR . 19.4 t80 -67.44 -43.9 80.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.723 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.431 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 2.6 tt0 -58.32 -53.95 52.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.365 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -68.19 -46.72 69.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.34 -43.27 98.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' B' ' 26' ' ' PHE . 48.9 t -72.18 -43.93 65.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -63.54 -46.35 86.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -64.21 -44.58 91.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.453 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 5.2 t80 -67.8 -47.72 68.29 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 40.7 m-85 -74.27 -32.74 63.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.85 -30.52 63.88 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.029 0.442 . . . . 0.0 110.694 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -61.52 -18.42 59.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.898 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -105.92 -21.91 13.04 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.68 13.66 1.8 Allowed Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.975 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.2 t -88.96 143.35 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.331 0.565 . . . . 0.0 110.877 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -157.85 -179.34 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.76 -144.9 18.14 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.403 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -147.97 154.7 40.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.918 0.39 . . . . 0.0 111.005 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.431 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 89.7 m95 -73.83 118.6 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.5 p -110.36 141.52 43.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.398 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -70.25 140.99 52.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.394 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.08 160.99 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -65.63 127.3 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.14 143.6 26.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.671 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.9 m -140.63 156.31 46.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.276 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -121.72 123.93 43.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.461 . . . . 0.0 111.359 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 54.6 m -107.13 130.99 54.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.409 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -80.57 119.44 23.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.377 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 87.6 m -94.52 124.03 38.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.86 156.13 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 111.202 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.2 m -149.66 -67.66 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.872 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.762 0.315 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.3 122.61 32.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.445 ' CD2' ' CD2' ' D' ' 26' ' ' PHE . 41.7 m-85 -110.46 135.28 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.389 0.614 . . . . 0.0 112.438 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -106.52 132.57 52.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.21 127.51 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 22.6 mt -98.45 125.21 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.428 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.33 -0.262 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' C' ' 25' ' ' THR . 1.9 m-20 . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 121.302 0.572 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.36 -43.78 44.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.031 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.54 -29.54 68.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.302 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 71.6 m -62.7 -39.87 95.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' D' ' 3' ' ' TYR . 19.4 t80 -67.33 -43.85 80.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.804 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.43 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 2.6 tt0 -58.35 -53.96 52.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.347 -179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -68.22 -46.66 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.31 -43.31 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' C' ' 26' ' ' PHE . 48.7 t -72.13 -43.93 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.51 -46.37 86.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -64.34 -44.65 90.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.341 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 5.1 t80 -67.65 -47.72 68.74 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 40.2 m-85 -74.37 -32.74 62.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -30.48 63.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.05 0.452 . . . . 0.0 110.703 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.58 -18.35 58.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.87 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -105.89 -21.95 13.04 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.54 13.91 1.8 Allowed Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.959 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 25.2 t -89.16 143.37 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.323 0.561 . . . . 0.0 110.794 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.92 -179.43 8.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.81 -145.14 18.2 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.407 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -147.8 154.73 40.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.895 0.379 . . . . 0.0 111.073 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . 0.43 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 89.7 m95 -73.81 118.64 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -110.44 141.48 43.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.451 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -70.19 141.07 52.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.484 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.25 161.01 31.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.989 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.8 127.48 32.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.53 143.77 28.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.764 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 6.7 m -140.57 156.37 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.23 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -121.74 123.89 42.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 0.0 111.309 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -107.03 130.95 54.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.347 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.48 119.42 23.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.349 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 86.4 m -94.36 124.02 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.395 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.99 156.14 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.945 0.402 . . . . 0.0 111.2 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 44.9 m -149.73 -67.53 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.88 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.804 0.335 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -89.29 122.52 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.428 ' CD2' ' CD2' ' C' ' 26' ' ' PHE . 41.4 m-85 -110.39 135.22 51.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.397 0.617 . . . . 0.0 112.32 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -106.57 132.63 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.705 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.2 127.53 17.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 22.5 mt -98.46 125.21 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.345 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.431 ' O ' ' HB ' ' D' ' 25' ' ' THR . 1.9 m-20 . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 121.266 0.555 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.36 -43.82 44.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.114 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.46 68.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.382 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 75.0 m -62.59 -40.03 95.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.445 ' CD2' ' CD2' ' C' ' 3' ' ' TYR . 19.3 t80 -67.28 -43.8 80.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.723 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . 0.438 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 2.6 tt0 -58.31 -53.98 52.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.294 -179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -68.32 -46.64 69.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.43 -43.29 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' D' ' 26' ' ' PHE . 48.6 t -72.19 -43.77 65.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.67 -46.28 86.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -64.26 -44.58 91.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.433 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.513 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 5.2 t80 -67.83 -47.71 68.23 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.513 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 40.5 m-85 -74.25 -32.75 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -30.34 63.91 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.011 0.434 . . . . 0.0 110.751 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.69 -18.28 58.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.946 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -105.88 -21.95 13.04 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.66 13.76 1.79 Allowed Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.134 -1.031 . . . . 0.0 113.936 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.04 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.354 0.577 . . . . 0.0 110.861 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.81 -179.23 7.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 111.219 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.68 -145.05 18.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -147.88 154.68 40.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 110.978 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . 0.438 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 89.7 m95 -73.86 118.68 17.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.198 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -110.35 141.53 43.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.412 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -70.21 141.15 52.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.511 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.17 160.94 31.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.993 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -65.67 127.33 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.36 144.0 26.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.775 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -140.85 156.27 46.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.284 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -121.68 123.89 42.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.004 0.43 . . . . 0.0 111.3 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -107.12 130.91 54.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.443 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -80.36 119.45 23.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.391 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.9 m -94.51 124.05 38.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.4 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.97 156.02 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 111.152 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 43.1 m -149.5 -67.63 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.863 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.35 124.4 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.423 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -108.96 125.84 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.22 0.533 . . . . 0.0 111.945 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -106.65 120.99 43.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.503 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.18 129.36 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.726 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.448 HG23 HD12 ' A' ' 6' ' ' ILE . 33.1 mt -92.69 117.13 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.886 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.427 HD11 ' CE1' ' B' ' 34' ' ' PHE . 5.5 tp . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 120.795 0.331 . . . . 0.0 111.013 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 25' ' ' THR . 8.1 t70 . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 121.384 0.611 . . . . 0.0 111.672 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.51 -42.14 67.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.17 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.31 -32.17 73.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 30.9 m -62.89 -36.26 82.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.118 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -64.72 -47.22 79.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.789 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.98 -49.51 77.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.875 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.0 -49.91 63.87 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 62.3 t -63.93 -43.3 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.76 -45.54 77.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.055 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -65.11 -44.83 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.016 0.436 . . . . 0.0 110.572 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -64.8 -43.67 92.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.424 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 4.7 t80 -67.23 -46.72 72.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CE1' HD11 ' B' ' 7' ' ' LEU . 30.5 m-85 -78.33 -32.01 48.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -29.27 39.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 111.061 179.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -61.53 -17.34 54.42 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.961 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -103.69 -19.08 14.45 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.53 15.43 2.21 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.197 -1.001 . . . . 0.0 113.914 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.3 t -89.16 143.26 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 117.128 0.464 . . . . 0.0 110.873 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -154.54 -178.87 7.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.416 . . . . 0.0 111.169 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.31 -144.32 18.0 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.286 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.48 156.77 42.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -73.19 119.36 17.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -112.73 140.22 47.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.602 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -71.87 146.25 48.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.725 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.69 155.77 40.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -67.02 137.2 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 137.36 45.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.08 0.467 . . . . 0.0 111.767 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.3 m -132.29 156.49 46.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.579 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 147.21 41.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.937 0.399 . . . . 0.0 111.138 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -141.01 125.36 17.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.181 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.34 117.31 21.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.482 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.2 m -92.57 123.4 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.257 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.67 155.97 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 111.072 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.4 m -147.93 -70.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.918 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.34 124.45 33.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -108.94 125.9 52.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.224 0.535 . . . . 0.0 111.967 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -106.65 120.86 43.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.495 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.09 129.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.03 0.443 . . . . 0.0 111.629 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.437 HD12 HG23 ' B' ' 6' ' ' ILE . 33.7 mt -92.66 117.18 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.87 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.424 HD11 ' CE1' ' A' ' 34' ' ' PHE . 5.5 tp . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.371 . . . . 0.0 110.992 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.406 ' O ' ' HB ' ' B' ' 25' ' ' THR . 8.1 t70 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 121.281 0.562 . . . . 0.0 111.73 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.57 -41.99 67.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.269 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.35 -32.2 73.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 30.2 m -63.0 -36.1 82.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.126 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -64.77 -47.27 78.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.768 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.97 -49.49 77.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.884 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.02 -49.86 63.93 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 63.1 t -64.06 -43.25 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.84 -45.48 76.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.367 -0.378 . . . . 0.0 112.005 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -65.15 -44.82 87.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 110.566 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -64.78 -43.6 92.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.541 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 4.7 t80 -67.29 -46.74 72.68 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.427 ' CE1' HD11 ' A' ' 7' ' ' LEU . 30.6 m-85 -78.24 -31.95 49.46 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -29.26 40.53 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.95 0.405 . . . . 0.0 111.07 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -61.61 -17.33 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.93 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -103.72 -18.93 14.49 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.35 15.5 2.24 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.903 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 28.7 t -89.11 143.21 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.169 0.485 . . . . 0.0 110.892 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -154.63 -178.95 7.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.402 . . . . 0.0 111.22 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.42 -144.36 17.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.239 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -149.43 156.71 42.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -73.1 119.39 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -112.74 140.23 47.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.611 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.88 146.3 47.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.721 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.76 155.72 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -66.94 137.1 56.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.629 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.73 137.3 44.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.014 0.435 . . . . 0.0 111.798 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.1 m -132.29 156.46 46.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.673 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.78 147.39 41.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.971 0.415 . . . . 0.0 111.133 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 42.3 m -141.1 125.35 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.201 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.34 117.32 21.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.507 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -92.47 123.34 35.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.341 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.68 156.19 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 111.047 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.5 m -148.1 -69.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.936 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.781 0.325 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.3 124.46 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.34 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -109.07 125.85 52.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.361 0.601 . . . . 0.0 111.965 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -106.67 120.86 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.51 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.07 129.38 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.647 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . 0.427 HG23 HD12 ' C' ' 6' ' ' ILE . 34.3 mt -92.78 117.19 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.831 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' D' ' 34' ' ' PHE . 5.5 tp . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.015 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.417 ' O ' ' HB ' ' C' ' 25' ' ' THR . 8.1 t70 . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 121.344 0.592 . . . . 0.0 111.587 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.34 -42.05 66.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.161 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.21 73.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 32.1 m -62.9 -36.25 82.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.122 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.64 -47.31 79.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.861 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.93 -49.49 77.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.878 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.07 -49.82 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 63.2 t -64.04 -43.33 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.76 -45.46 77.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.055 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . 0.406 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 76.8 tttt -65.17 -44.86 87.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.517 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -64.7 -43.6 92.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.594 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 4.7 t80 -67.34 -46.77 72.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.427 ' CE1' HD11 ' D' ' 7' ' ' LEU . 30.4 m-85 -78.25 -31.92 49.41 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -53.88 -29.25 40.76 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.113 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -61.53 -17.37 54.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.899 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -103.72 -18.91 14.5 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.41 15.5 2.23 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.913 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 28.5 t -89.15 143.14 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 117.142 0.471 . . . . 0.0 110.841 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -154.59 -178.79 7.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.944 0.402 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.25 -144.37 18.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.216 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.47 156.65 42.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.381 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -73.09 119.37 17.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 80.7 p -112.7 140.1 47.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.582 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.84 146.34 48.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.708 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.81 155.75 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.96 137.14 56.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.626 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 137.2 45.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.801 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -132.2 156.49 46.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.583 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 147.34 41.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.025 0.44 . . . . 0.0 111.085 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 41.5 m -141.15 125.35 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.152 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -81.26 117.37 21.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.552 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 87.4 m -92.55 123.37 35.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.221 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.62 156.23 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 67.4 m -148.13 -70.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.885 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.807 0.337 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.33 124.43 33.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -108.99 125.9 52.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.227 0.537 . . . . 0.0 111.96 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -106.69 120.98 43.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.508 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.15 129.32 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.438 . . . . 0.0 111.684 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 33.3 mt -92.66 117.22 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.965 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.427 HD11 ' CE1' ' C' ' 34' ' ' PHE . 5.5 tp . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.339 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' D' ' 25' ' ' THR . 7.9 t70 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.386 0.612 . . . . 0.0 111.76 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.54 -42.02 67.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.172 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.29 73.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 32.7 m -62.79 -36.23 82.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.191 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -64.77 -47.19 79.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.793 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.03 -49.5 77.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.811 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -66.97 -49.95 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 62.5 t -63.9 -43.35 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.74 -45.61 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.022 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . 0.407 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 76.8 tttt -65.11 -44.87 87.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.921 0.391 . . . . 0.0 110.493 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -64.69 -43.64 92.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.516 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 4.7 t80 -67.36 -46.64 72.74 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' C' ' 7' ' ' LEU . 30.4 m-85 -78.33 -31.94 48.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 0.9 OUTLIER -53.84 -29.25 40.2 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 179.074 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -61.54 -17.26 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.991 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -103.83 -18.93 14.45 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.41 15.51 2.22 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.241 -0.981 . . . . 0.0 113.914 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 28.6 t -89.19 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 117.205 0.502 . . . . 0.0 110.873 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -154.52 -178.77 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.199 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.25 -144.4 18.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.304 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.41 156.65 42.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -73.09 119.38 17.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.0 p -112.68 140.13 47.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.61 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.8 146.32 48.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.71 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.83 155.75 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.98 137.2 56.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.78 137.09 45.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.782 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -132.13 156.41 46.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.89 147.29 41.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.964 0.412 . . . . 0.0 111.145 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 42.9 m -141.09 125.4 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.156 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -81.32 117.36 21.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.478 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -92.6 123.42 35.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.252 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.73 156.11 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 111.029 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.5 m -147.99 -70.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.984 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.983 0.42 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -95.6 127.42 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.482 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.41 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 36.0 m-85 -107.93 130.99 54.99 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.273 0.559 . . . . 0.0 112.339 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -107.18 124.26 49.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.855 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.23 125.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.304 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -95.9 117.17 39.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.523 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.961 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 121.326 0.584 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.47 -43.04 64.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.148 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.33 74.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.999 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.2 m -62.72 -38.95 92.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.212 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' B' ' 3' ' ' TYR . 72.5 t80 -64.19 -51.39 63.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.852 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -55.62 -49.39 72.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.842 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -67.65 -48.79 65.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 59.5 t -64.38 -43.48 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -68.4 -43.84 83.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.67 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -65.87 -44.68 84.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.897 0.379 . . . . 0.0 110.787 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.23 -41.6 94.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.324 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 3.8 t80 -68.46 -48.88 63.36 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.405 ' CZ ' ' CE2' ' A' ' 33' ' ' PHE . 26.6 m-85 -77.55 -30.76 52.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.2 -28.1 50.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.949 0.404 . . . . 0.0 111.043 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.11 -17.33 52.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.066 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 34' ' ' PHE . 12.3 p30 -104.47 -15.75 15.28 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.61 16.62 2.48 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.641 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.5 t -89.4 143.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 117.084 0.442 . . . . 0.0 111.099 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -155.81 -178.93 7.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.23 -144.29 18.01 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.318 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -150.34 157.38 43.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -74.05 116.14 14.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.103 0.478 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.0 p -109.71 140.97 42.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.64 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -71.6 142.52 49.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.776 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 160.04 33.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.71 134.76 52.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.62 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.28 139.75 41.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.088 0.47 . . . . 0.0 111.874 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -130.01 156.42 44.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.692 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -125.45 119.79 29.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.975 0.417 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.9 m -109.97 130.79 55.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.453 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -80.63 115.05 19.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.383 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -89.69 123.17 33.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.352 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.34 155.05 7.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 111.101 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 m -147.1 -69.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.895 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.925 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.0 mmm . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.925 0.393 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -95.59 127.63 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.402 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.411 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 36.4 m-85 -108.13 130.81 55.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.249 0.547 . . . . 0.0 112.435 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -107.01 124.09 49.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.957 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.18 125.32 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 mt -95.71 117.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.6 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.915 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 121.282 0.563 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.28 -43.15 64.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.58 -33.47 75.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 17.4 m -62.69 -39.02 92.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.205 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 72.8 t80 -64.23 -51.12 65.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.836 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -55.92 -49.25 73.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.824 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -67.74 -48.69 65.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 59.9 t -64.51 -43.35 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.55 -43.63 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.615 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -65.92 -44.8 84.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.748 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -65.19 -41.44 94.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.4 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 3.8 t80 -68.57 -48.91 63.01 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.411 ' CZ ' ' CE2' ' B' ' 33' ' ' PHE . 26.9 m-85 -77.54 -30.68 52.91 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.23 -28.24 51.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.967 0.413 . . . . 0.0 111.062 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -60.93 -17.42 51.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.142 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -104.59 -15.66 15.24 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.54 16.75 2.48 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.348 -0.929 . . . . 0.0 113.616 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 20.6 t -89.55 143.22 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 117.12 0.46 . . . . 0.0 111.14 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.73 -178.55 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.95 -144.47 18.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.207 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -150.35 157.38 42.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.811 0.339 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -74.1 116.24 14.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.173 0.511 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 49.3 p -109.91 140.97 43.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.574 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.51 142.5 50.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.792 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 159.79 33.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.974 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.37 134.22 52.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.79 139.84 38.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 111.91 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 11.1 m -130.19 156.52 44.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -125.45 119.86 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 29.4 m -110.02 130.81 55.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.525 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -80.7 115.07 20.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.338 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -89.62 123.24 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.437 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.34 155.25 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.925 0.393 . . . . 0.0 111.065 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.5 m -147.34 -69.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.981 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmm . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.974 0.416 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -95.68 127.55 41.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.438 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.416 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 36.3 m-85 -108.02 130.89 55.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.31 0.576 . . . . 0.0 112.314 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -107.04 124.01 49.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.05 125.38 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.269 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 37.0 mt -95.84 117.16 39.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.491 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.078 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 121.203 0.525 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.43 -43.2 64.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.177 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.22 74.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 16.9 m -62.92 -38.95 93.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.195 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 73.0 t80 -64.25 -51.1 65.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.791 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -55.8 -49.4 73.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.829 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -67.73 -48.53 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 58.7 t -64.46 -43.5 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.49 -43.62 83.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.658 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -66.06 -44.68 83.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.766 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -65.25 -41.4 94.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.315 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 3.8 t80 -68.54 -49.09 62.18 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.41 ' CZ ' ' CE2' ' C' ' 33' ' ' PHE . 26.8 m-85 -77.44 -30.82 53.55 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -28.19 51.16 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 122.019 -0.426 . . . . 0.0 111.031 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.91 -17.52 51.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.105 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -104.58 -15.45 15.31 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.43 16.62 2.52 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.298 -0.954 . . . . 0.0 113.667 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.1 t -89.48 143.11 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 117.086 0.443 . . . . 0.0 111.045 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -155.8 -179.39 8.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.73 -144.17 17.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.209 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -150.48 157.48 43.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -74.18 116.22 14.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 49.9 p -109.9 140.97 43.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.69 142.44 49.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.745 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.2 160.0 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.88 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.67 134.54 52.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.482 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.23 140.19 39.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.961 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 10.3 m -130.36 156.53 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.67 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -125.51 119.66 28.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.402 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -109.87 130.67 55.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -80.69 115.23 20.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.401 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -89.82 123.28 33.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.408 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.41 155.19 7.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 65.5 m -147.34 -69.26 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.888 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mmm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.905 0.384 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -95.76 127.35 41.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.51 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.415 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.6 m-85 -107.93 130.85 55.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.219 0.533 . . . . 0.0 112.336 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -107.04 124.11 49.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.911 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.09 125.48 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.239 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 mt -95.9 117.15 39.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.584 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.983 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 121.542 0.687 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.57 -43.38 65.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.179 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.4 75.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 17.1 m -62.8 -38.82 92.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.202 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' C' ' 3' ' ' TYR . 72.9 t80 -64.34 -51.23 64.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.877 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -55.63 -49.4 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.867 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -67.78 -48.67 65.71 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 60.1 t -64.32 -43.42 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.48 -43.88 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.59 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -65.86 -44.77 84.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.915 0.388 . . . . 0.0 110.728 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -65.2 -41.37 94.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.333 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 3.8 t80 -68.53 -48.93 63.06 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.411 ' CZ ' ' CE2' ' D' ' 33' ' ' PHE . 26.9 m-85 -77.58 -30.87 52.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.07 -28.18 50.41 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.978 0.418 . . . . 0.0 111.101 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -60.98 -17.42 51.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.059 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -104.61 -15.66 15.23 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.58 16.56 2.5 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 120.289 -0.957 . . . . 0.0 113.591 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 20.6 t -89.32 143.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 117.07 0.435 . . . . 0.0 111.124 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -155.87 -179.11 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.195 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.41 -144.34 17.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.21 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -150.3 157.27 42.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -74.0 116.26 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.098 0.475 . . . . 0.0 111.026 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -109.9 141.17 43.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.563 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -71.77 142.59 49.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.807 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.31 159.98 33.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.866 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.44 134.22 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.55 139.26 38.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 111.848 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 10.6 m -129.8 156.54 44.17 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.729 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -125.7 119.57 28.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.931 0.396 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 28.9 m -109.82 130.76 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.69 115.29 20.12 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.413 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -89.78 123.39 33.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.399 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.54 155.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.886 0.374 . . . . 0.0 111.085 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 67.0 m -147.26 -69.25 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.775 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.009 179.971 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.896 0.379 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -89.94 123.71 34.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.543 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.408 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.5 m-85 -110.3 132.35 54.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.457 0.646 . . . . 0.0 112.192 -179.56 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -106.4 126.19 51.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.758 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.25 121.64 9.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.05 117.16 38.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.68 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.42 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.513 ' O ' ' HB ' ' A' ' 25' ' ' THR . 14.9 t70 . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 121.251 0.548 . . . . 0.0 112.124 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.08 -41.68 17.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.278 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.54 66.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 179.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.513 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 38.2 m -61.25 -38.23 85.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.425 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CD1' HD11 ' A' ' 7' ' ' LEU . 30.8 t80 -69.43 -49.47 54.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.753 178.639 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -53.37 -52.29 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.953 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -66.15 -48.9 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.414 HG23 ' CZ ' ' B' ' 33' ' ' PHE . 66.2 t -62.55 -41.08 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.26 -45.46 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -63.65 -45.56 89.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.022 0.439 . . . . 0.0 110.403 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.06 -46.74 86.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.153 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.529 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 5.0 t80 -67.44 -46.39 73.25 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.529 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 35.1 m-85 -74.53 -33.05 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -31.1 61.99 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.846 178.503 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -61.9 -18.57 60.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.059 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -105.46 -21.46 13.21 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.57 14.93 1.85 Allowed Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.071 -1.062 . . . . 0.0 114.099 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -89.68 143.17 11.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 117.333 0.566 . . . . 0.0 110.854 179.556 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -155.08 -177.52 6.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.911 0.386 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.58 -145.08 18.5 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.341 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -149.07 156.39 42.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.343 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -72.76 117.76 14.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.459 . . . . 0.0 111.239 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.3 p -110.26 139.67 45.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.436 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.24 142.84 52.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.861 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.84 158.27 36.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.63 130.3 42.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.494 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 142.22 29.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.823 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.57 156.41 46.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.504 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -127.64 124.03 37.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.105 0.479 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.74 134.19 50.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.207 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -80.87 118.04 22.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.542 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.5 m -91.88 121.32 33.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.341 179.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.93 156.7 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.033 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.6 m -148.17 -72.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.021 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.926 0.393 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.03 123.73 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.608 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.409 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.6 m-85 -110.27 132.27 54.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.419 0.628 . . . . 0.0 112.102 -179.382 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -106.39 126.17 51.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.799 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.26 121.63 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 mt -95.22 117.18 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.679 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.412 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.523 ' O ' ' HB ' ' B' ' 25' ' ' THR . 15.1 t70 . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 121.353 0.597 . . . . 0.0 111.973 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.0 -41.64 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.164 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -27.59 66.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.29 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 37.4 m -61.19 -38.26 85.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.358 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . 0.412 ' CD1' HD11 ' B' ' 7' ' ' LEU . 31.2 t80 -69.43 -49.55 54.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.742 178.677 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.33 -52.28 59.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.996 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -66.04 -49.01 69.16 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.408 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 67.5 t -62.56 -41.1 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.27 -45.57 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.404 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 67.3 tttt -63.54 -45.61 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.057 0.456 . . . . 0.0 110.42 179.578 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.0 -46.8 85.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.15 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 5.0 t80 -67.42 -46.32 73.51 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.525 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 34.6 m-85 -74.68 -33.04 62.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -55.68 -30.98 61.99 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 178.587 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -61.97 -18.49 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.016 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -105.47 -21.55 13.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.59 14.99 1.84 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.056 -1.069 . . . . 0.0 114.032 179.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 t -89.66 143.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 117.372 0.586 . . . . 0.0 110.793 179.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -155.18 -177.67 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.71 -145.0 18.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.257 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -149.06 156.48 42.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.374 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -72.8 117.72 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.209 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 80.0 p -110.29 139.64 45.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.457 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.27 142.77 52.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.85 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.83 158.34 36.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.57 130.39 43.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.551 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.96 142.19 30.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 111.828 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.38 156.3 47.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.488 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -127.58 123.93 36.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.108 0.48 . . . . 0.0 111.391 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -106.67 134.17 50.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.181 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.03 118.08 22.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 111.46 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 94.2 m -91.68 121.37 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.309 179.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.19 156.82 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.997 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 90.9 m -148.27 -72.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.967 179.991 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.861 0.362 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.04 123.74 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.51 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 3' ' ' TYR . . . . . 0.408 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.7 m-85 -110.22 132.29 54.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.421 0.629 . . . . 0.0 112.169 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -106.4 126.27 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.746 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.3 121.68 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mt -95.2 117.24 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.655 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.841 178.875 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 22' ' ' ASP . . . . . 0.517 ' O ' ' HB ' ' C' ' 25' ' ' THR . 15.0 t70 . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 121.355 0.598 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.02 -41.77 17.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.253 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.76 -27.6 66.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.242 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.517 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 37.4 m -61.21 -38.24 85.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.403 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . 0.426 ' CD1' HD11 ' C' ' 7' ' ' LEU . 30.9 t80 -69.43 -49.58 53.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.701 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -53.32 -52.25 59.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.952 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -66.04 -49.11 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 29' ' ' VAL . . . . . 0.414 HG23 ' CZ ' ' D' ' 33' ' ' PHE . 66.5 t -62.52 -41.05 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.28 -45.45 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.246 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -63.61 -45.57 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.993 0.425 . . . . 0.0 110.379 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -63.16 -46.74 85.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.17 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 33' ' ' PHE . . . . . 0.52 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 5.0 t80 -67.34 -46.28 73.87 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 34' ' ' PHE . . . . . 0.52 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 35.1 m-85 -74.57 -33.15 62.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.64 -31.01 61.96 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.013 0.435 . . . . 0.0 110.831 178.585 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.95 -18.44 60.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.099 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -105.49 -21.56 13.19 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.474 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.66 14.87 1.85 Allowed Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.057 -1.068 . . . . 0.0 114.101 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 26.6 t -89.64 143.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 117.362 0.581 . . . . 0.0 110.814 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -155.09 -177.62 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.64 -145.01 18.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.332 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -149.07 156.44 42.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -72.78 117.8 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 79.2 p -110.42 139.77 45.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.403 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.37 142.88 52.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.807 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.85 158.31 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.763 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.58 130.4 43.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.549 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 142.19 29.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.835 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -139.45 156.4 46.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.444 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -127.62 123.88 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.065 0.459 . . . . 0.0 111.466 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -106.73 134.14 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.261 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -80.91 117.96 21.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.677 0.275 . . . . 0.0 111.54 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -91.72 121.29 33.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.275 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.94 156.88 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 111.065 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 90.9 m -148.28 -72.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.984 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.0 123.78 34.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.591 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 3' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.9 m-85 -110.33 132.34 54.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.444 0.64 . . . . 0.0 112.211 -179.558 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -106.47 126.28 52.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.768 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.32 121.56 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.1 117.21 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.637 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.846 178.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 22' ' ' ASP . . . . . 0.518 ' O ' ' HB ' ' D' ' 25' ' ' THR . 15.2 t70 . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 121.36 0.6 . . . . 0.0 111.931 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.11 -41.77 17.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.215 179.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.73 -27.55 66.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 25' ' ' THR . . . . . 0.518 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 36.9 m -61.27 -38.18 85.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.412 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 26' ' ' PHE . . . . . 0.416 ' CD1' HD11 ' D' ' 7' ' ' LEU . 31.2 t80 -69.47 -49.54 53.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.687 178.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.36 -52.21 59.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.031 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -66.09 -49.04 68.94 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 29' ' ' VAL . . . . . 0.413 HG23 ' CZ ' ' C' ' 33' ' ' PHE . 65.7 t -62.54 -41.07 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.26 -45.61 74.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.259 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -63.47 -45.62 89.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.462 . . . . 0.0 110.47 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -62.97 -46.81 85.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.198 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 33' ' ' PHE . . . . . 0.514 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 5.0 t80 -67.35 -46.43 73.42 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 34' ' ' PHE . . . . . 0.514 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 35.0 m-85 -74.63 -32.98 62.46 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -31.01 62.15 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.765 178.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -61.99 -18.42 60.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.066 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -105.6 -21.33 13.22 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.45 15.07 1.86 Allowed Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.065 -1.064 . . . . 0.0 114.131 179.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 t -89.78 143.18 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 117.36 0.58 . . . . 0.0 110.809 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -155.05 -177.59 6.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 111.106 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.67 -145.07 18.48 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.342 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -149.17 156.44 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -72.74 117.76 14.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.247 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 80.2 p -110.37 139.64 45.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.438 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.29 142.73 52.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.806 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.79 158.27 36.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.58 130.29 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.82 142.24 29.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.816 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.59 156.38 46.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -127.56 123.98 37.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.532 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.77 134.08 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.206 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -80.94 118.08 22.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.482 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -91.78 121.32 33.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.275 179.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 t -71.0 156.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.018 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 91.3 m -148.23 -72.19 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.883 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 121.023 0.44 . . . . 1.51 111.434 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.6 123.57 35.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.614 -0.721 . . . . 2.0299999999999998 110.362 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -108.38 131.02 55.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.377 0.608 . . . . 0.72999999999999998 111.553 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -105.57 125.07 50.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.921 -1.036 . . . . 2.0800000000000001 110.509 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 t -142.43 123.94 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.015 0.436 . . . . 1.1899999999999999 111.141 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' B' ' 1' ' ' MET . 16.8 mt -92.94 117.42 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.851 -0.613 . . . . 1.1699999999999999 110.547 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.88 112.47 17.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.599 -0.889 . . . . 1.49 108.599 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 10' ' ' LYS . 38.0 t30 -159.26 95.25 1.24 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.06 -0.348 . . . . 2.96 110.06 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.29 65.66 0.03 OUTLIER Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.405 -0.903 . . . . 2.6899999999999999 112.76 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 8' ' ' ASN . 12.8 tttt -75.4 154.88 36.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.974 0.416 . . . . 6.1200000000000001 110.816 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 t -141.54 138.44 32.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.995 -0.548 . . . . 5.1299999999999999 110.672 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.42 59.98 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 7.2699999999999996 110.955 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.04 -78.02 0.11 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.964 0.887 . . . . 9.3200000000000003 110.862 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.69 -43.18 0.24 Allowed Glycine 0 C--N 1.298 -1.552 0 CA-C-N 114.033 -1.439 . . . . 7.2599999999999998 112.814 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -95.08 89.37 5.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 7.8200000000000003 111.217 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -73.38 -44.86 57.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 7.4199999999999999 110.711 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.47 -68.84 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.033 -0.531 . . . . 6.3899999999999997 111.025 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.4 p -157.19 -175.19 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 5.6900000000000004 110.917 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -135.78 -168.69 2.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 6.2000000000000002 110.586 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.64 -54.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.283 0.563 . . . . 2.2599999999999998 109.996 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.581 HG11 ' CE1' ' B' ' 34' ' ' PHE . 12.7 m -82.53 61.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.205 -0.907 . . . . 1.8400000000000001 110.774 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -97.99 145.54 26.39 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.325 0.583 . . . . 1.6499999999999999 111.067 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.21 -46.67 65.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.262 -0.881 . . . . 1.0900000000000001 110.805 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.18 -32.11 73.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.948 -0.569 . . . . 1.1499999999999999 110.729 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.4 m -64.44 -40.65 96.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.868 -0.606 . . . . 1.1100000000000001 110.913 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.441 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 10.8 t80 -65.59 -50.99 63.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.932 -0.576 . . . . 0.46000000000000002 110.626 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 62.8 mt-10 -54.75 -49.83 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 2.0499999999999998 111.033 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -66.01 -53.17 42.01 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.32 0.489 . . . . 2.2999999999999998 112.32 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 63.8 t -64.08 -45.03 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 112.182 0.438 . . . . 1.0800000000000001 112.182 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 26' ' ' PHE . 44.4 t -68.59 -41.21 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 1.0800000000000001 111.247 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 77.7 tttt -70.69 -46.49 63.04 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.76 -0.376 . . . . 1.8500000000000001 110.581 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -63.79 -42.36 97.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.527 -0.306 . . . . 2.0699999999999998 111.122 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.481 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 4.7 t80 -64.23 -46.57 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.531 0.567 . . . . 0.32000000000000001 112.531 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.485 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 36.4 m-85 -78.52 -29.96 46.8 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.055 0.761 . . . . 0.85999999999999999 113.055 -178.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 1.1 m-80 -55.34 -30.7 60.77 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.407 0.622 . . . . 0.32000000000000001 110.752 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -59.48 -17.44 31.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.927 -1.033 . . . . 1.1899999999999999 112.022 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 34' ' ' PHE . 13.2 p30 -111.04 -2.39 15.92 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.973 0.731 . . . . 1.6299999999999999 112.973 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.32 51.56 1.13 Allowed Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.003 -1.094 . . . . 0.27000000000000002 113.756 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.0 t -126.31 139.43 51.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.535 -0.913 . . . . 1.0800000000000001 108.535 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -150.94 -174.47 4.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.406 0.622 . . . . 1.3100000000000001 111.525 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.05 -145.61 18.2 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.068 -0.969 . . . . 0.25 112.357 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -148.56 155.16 40.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.095 0.474 . . . . 1.5800000000000001 111.29 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.438 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 94.3 m95 -74.05 114.19 12.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.787 -0.642 . . . . 0.39000000000000001 110.788 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.6 p -106.93 143.13 35.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.872 -0.604 . . . . 1.05 110.707 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.38 140.57 50.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.557 -0.747 . . . . 0.91000000000000003 110.551 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.05 160.93 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 1.1399999999999999 110.589 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.29 131.75 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 2.2599999999999998 111.299 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.49 140.34 34.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.186 -0.461 . . . . 1.0800000000000001 111.473 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.5 m -137.26 150.04 47.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.89 -0.596 . . . . 1.0700000000000001 110.817 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -117.85 137.95 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.986 0.422 . . . . 1.3700000000000001 110.581 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.2 m -125.95 133.74 51.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 1.0800000000000001 110.387 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -80.67 121.94 26.48 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.818 0.342 . . . . 0.40000000000000002 111.616 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.6 m -99.56 123.33 43.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.196 -0.457 . . . . 1.0700000000000001 110.231 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.5 t -69.52 156.39 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.009 0.433 . . . . 1.0900000000000001 110.816 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 36.4 m -152.49 -71.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.851 -0.613 . . . . 1.1200000000000001 111.114 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.245 -0.883 . . . . 4.3700000000000001 110.915 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.452 ' N ' ' HB2' ' A' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 121.135 0.493 . . . . 1.51 111.303 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.82 123.71 35.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.518 -0.765 . . . . 2.02 110.358 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -108.44 131.17 55.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.442 0.639 . . . . 0.72999999999999998 111.575 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -105.79 124.93 50.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.926 -1.034 . . . . 2.0800000000000001 110.642 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.5 t -142.29 123.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.054 0.454 . . . . 1.1899999999999999 111.334 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 1' ' ' MET . 17.4 mt -92.81 117.49 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.594 . . . . 1.1799999999999999 110.594 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' B' ' 21' ' ' VAL . 0.5 OUTLIER -125.28 113.32 17.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.71 -0.848 . . . . 1.49 108.71 179.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.418 ' HB2' ' N ' ' A' ' 1' ' ' MET . 46.1 t30 -149.96 117.18 6.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.238 0.542 . . . . 2.9700000000000002 111.948 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.27 40.54 0.12 Allowed Glycine 0 CA--C 1.523 0.562 0 CA-C-N 115.119 -0.946 . . . . 2.6099999999999999 115.009 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -92.34 109.9 21.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.969 -0.752 . . . . 7.2800000000000002 108.969 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.436 ' O ' ' N ' ' B' ' 13' ' ' LYS . 1.0 OUTLIER -109.72 -43.95 3.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.92 0.867 . . . . 5.4400000000000004 111.875 -178.537 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mt 59.87 -76.2 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 113.707 -1.588 . . . . 8.1400000000000006 111.119 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 11' ' ' THR . 0.0 OUTLIER -81.27 157.48 25.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.505 . . . . 9.9199999999999999 110.729 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.35 179.37 32.57 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.532 -0.842 . . . . 7.0800000000000001 112.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.29 177.93 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 8.1699999999999999 110.862 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.1 t -73.05 131.77 42.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 7.6100000000000003 110.823 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.69 -73.9 0.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 6.29 110.61 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 45.0 p -158.18 -179.9 8.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 5.8300000000000001 110.963 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -153.3 178.88 9.29 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.416 -0.811 . . . . 6.4800000000000004 109.974 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.418 ' HB3' ' ND2' ' A' ' 37' ' ' ASN . . . -158.87 -41.35 0.06 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.195 -0.457 . . . . 2.6899999999999999 111.496 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.496 ' HA ' HD23 ' B' ' 7' ' ' LEU . 33.9 m -88.32 54.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.018 0.748 . . . . 1.8400000000000001 113.018 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -98.38 144.6 27.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.18 0.514 . . . . 1.6499999999999999 109.637 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.97 -46.54 64.86 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.604 -0.725 . . . . 1.0900000000000001 111.002 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -31.15 71.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 1.1399999999999999 110.772 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 74.7 m -64.34 -40.67 96.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.964 -0.562 . . . . 1.1100000000000001 110.85 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.448 ' O ' ' CG2' ' B' ' 30' ' ' VAL . 10.4 t80 -65.92 -50.42 64.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.759 -0.655 . . . . 0.46000000000000002 110.691 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.425 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 62.9 mt-10 -55.25 -49.38 72.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 2.04 110.915 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.24 -52.98 42.42 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.345 0.498 . . . . 2.2999999999999998 112.345 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.498 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 61.7 t -64.15 -45.24 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 112.076 0.398 . . . . 1.0700000000000001 112.076 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' B' ' 26' ' ' PHE . 42.8 t -68.38 -41.54 83.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.05 -0.523 . . . . 1.0800000000000001 111.349 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.436 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 77.4 tttt -70.62 -46.26 63.68 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.802 -0.359 . . . . 1.8500000000000001 110.469 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -64.14 -42.89 96.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 2.0699999999999998 111.304 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.498 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 4.6 t80 -63.47 -46.88 84.13 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.657 0.614 . . . . 0.32000000000000001 112.657 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.581 ' CE1' HG11 ' A' ' 21' ' ' VAL . 34.8 m-85 -77.9 -31.37 51.16 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.968 0.729 . . . . 0.85999999999999999 112.968 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 1.1 m120 -53.57 -32.54 51.29 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.191 0.52 . . . . 0.32000000000000001 110.781 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -58.21 -17.24 17.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 1.1899999999999999 112.178 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 34' ' ' PHE . 14.1 p30 -110.18 -3.35 16.38 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.849 0.685 . . . . 1.6200000000000001 112.849 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.92 49.72 1.23 Allowed Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.198 -1.001 . . . . 0.27000000000000002 113.464 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.17 137.54 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 108.672 -0.862 . . . . 1.0800000000000001 108.672 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -149.91 -174.97 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.302 0.572 . . . . 1.3 111.781 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.55 -145.49 16.94 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.132 -0.94 . . . . 0.25 112.171 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -148.58 154.74 40.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.847 0.356 . . . . 1.5700000000000001 111.132 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 94.0 m95 -73.8 115.39 13.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.39000000000000001 110.845 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -108.06 142.94 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.848 -0.615 . . . . 1.05 110.506 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.15 140.93 50.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.464 -0.789 . . . . 0.91000000000000003 110.697 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.36 160.9 31.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 1.1399999999999999 110.585 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.19 131.93 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.36 . . . . 2.2599999999999998 111.161 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.67 140.85 34.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.46 . . . . 1.0700000000000001 111.416 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 4.2 m -137.71 150.06 47.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 1.0700000000000001 110.806 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -117.86 138.17 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.034 0.445 . . . . 1.3700000000000001 110.614 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 21.7 m -126.18 133.81 51.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.839 -0.619 . . . . 1.0800000000000001 110.363 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -80.79 122.07 26.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.827 0.346 . . . . 0.40000000000000002 111.661 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 41.7 m -99.61 123.52 43.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.213 -0.449 . . . . 1.0700000000000001 110.198 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 19.5 t -69.61 156.68 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 1.0900000000000001 110.873 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.7 m -152.78 -71.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.933 -0.576 . . . . 1.1200000000000001 111.105 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.292 -0.861 . . . . 4.3600000000000003 110.935 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.534 ' N ' ' HB2' ' D' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.053 0.454 . . . . 1.51 111.089 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -91.36 124.24 35.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.699 -0.682 . . . . 2.0299999999999998 110.321 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -109.22 131.14 55.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.465 0.65 . . . . 0.72999999999999998 111.573 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -105.69 124.97 50.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.754 -1.112 . . . . 2.0800000000000001 110.568 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 17.9 t -142.29 124.19 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.0 0.429 . . . . 1.1899999999999999 111.268 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' D' ' 1' ' ' MET . 16.2 mt -92.98 117.59 36.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.873 -0.603 . . . . 1.1799999999999999 110.763 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' C' ' 21' ' ' VAL . 0.6 OUTLIER -123.76 112.28 17.15 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.607 -0.886 . . . . 1.49 108.607 179.053 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' C' ' 10' ' ' LYS . 41.9 t30 -157.68 104.72 1.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.125 -0.324 . . . . 2.9700000000000002 110.125 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.44 69.4 0.01 OUTLIER Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.804 -0.712 . . . . 2.2599999999999998 113.762 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' C' ' 8' ' ' ASN . 0.0 OUTLIER -76.64 117.13 17.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.82 0.31 . . . . 5.9500000000000002 110.267 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 17.2 p -140.49 78.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 5.9400000000000004 110.901 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 mt -70.25 -67.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 6.8899999999999997 111.026 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -135.75 126.69 27.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 8.75 110.86 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.99 -167.64 39.33 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.799 -0.715 . . . . 6.9400000000000004 112.27 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.36 175.29 0.78 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.899 0.38 . . . . 8.1699999999999999 110.98 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.2 t -98.3 36.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 8.0299999999999994 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p -76.74 176.96 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 7.1600000000000001 111.046 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 19.4 p -76.86 -168.17 0.99 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.301 -0.409 . . . . 5.4500000000000002 111.361 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -131.54 -49.52 0.98 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.977 0.894 . . . . 6.3700000000000001 112.133 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . 75.32 -47.04 0.59 Allowed 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 113.914 -1.494 . . . . 2.5 112.96 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . 0.49 HG11 ' CE1' ' D' ' 34' ' ' PHE . 16.3 m -76.52 58.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.968 0.413 . . . . 1.8400000000000001 111.03 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -98.03 144.94 27.01 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.257 0.551 . . . . 1.6499999999999999 110.522 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -46.76 63.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.429 -0.805 . . . . 1.0900000000000001 110.809 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.42 -31.58 72.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.963 -0.562 . . . . 1.1399999999999999 110.775 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 96.3 m -64.44 -40.67 96.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 1.1100000000000001 110.824 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.445 ' O ' ' CG2' ' C' ' 30' ' ' VAL . 10.7 t80 -65.62 -50.88 63.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.46000000000000002 110.68 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.427 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 62.9 mt-10 -54.91 -49.39 71.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 2.0499999999999998 110.995 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.47 -52.75 42.93 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.298 0.481 . . . . 2.29 112.298 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 61.8 t -64.3 -45.4 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.062 0.393 . . . . 1.0700000000000001 112.062 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' C' ' 26' ' ' PHE . 43.6 t -68.32 -40.76 82.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.033 -0.531 . . . . 1.0800000000000001 111.338 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . 0.448 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 77.5 tttt -71.24 -46.14 61.69 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.789 -0.364 . . . . 1.8500000000000001 110.483 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -64.54 -42.49 95.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 2.0699999999999998 111.378 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.497 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 4.5 t80 -63.68 -46.91 83.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.668 0.618 . . . . 0.32000000000000001 112.668 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.505 ' CE1' HG11 ' D' ' 21' ' ' VAL . 32.3 m-85 -78.17 -30.92 49.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.865 0.691 . . . . 0.85999999999999999 112.865 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 1.1 m120 -53.78 -32.55 52.86 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.217 0.532 . . . . 0.32000000000000001 110.842 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -58.31 -17.24 18.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.46 -0.791 . . . . 1.1799999999999999 112.123 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' C' ' 34' ' ' PHE . 14.2 p30 -110.16 -2.87 16.66 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.833 0.679 . . . . 1.6200000000000001 112.833 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.49 49.34 1.31 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.213 -0.994 . . . . 0.27000000000000002 113.566 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -124.4 137.76 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 108.664 -0.865 . . . . 1.0900000000000001 108.664 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -150.1 -175.11 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.323 0.583 . . . . 1.3 111.74 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.34 -145.33 17.01 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.107 -0.951 . . . . 0.25 112.095 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -148.81 154.81 40.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.393 . . . . 1.5700000000000001 111.199 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . 0.427 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 94.4 m95 -73.55 115.21 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.861 -0.609 . . . . 0.39000000000000001 110.856 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -108.12 142.64 38.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.86 -0.609 . . . . 1.05 110.524 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.99 140.89 50.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.568 -0.742 . . . . 0.91000000000000003 110.681 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.3 160.77 32.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 1.1399999999999999 110.536 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.19 131.62 46.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 2.2599999999999998 111.222 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.38 140.48 33.57 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.206 -0.452 . . . . 1.0700000000000001 111.519 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -137.48 149.99 47.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.915 -0.584 . . . . 1.0700000000000001 110.841 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -117.56 138.23 52.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 1.3700000000000001 110.607 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 21.4 m -126.25 133.48 51.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.858 -0.61 . . . . 1.0800000000000001 110.417 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -80.58 121.85 26.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.845 0.355 . . . . 0.39000000000000001 111.621 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 42.6 m -99.36 123.88 44.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.148 -0.478 . . . . 1.0700000000000001 110.194 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 19.5 t -70.09 156.27 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.021 0.439 . . . . 1.0900000000000001 110.837 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 40.8 m -151.99 -72.8 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.781 -0.645 . . . . 1.1200000000000001 111.12 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.158 -0.925 . . . . 4.3700000000000001 110.901 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.449 ' O ' ' HA ' ' C' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.916 0.389 . . . . 1.51 111.339 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -91.58 124.38 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.857 -0.61 . . . . 2.0299999999999998 110.347 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.403 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.6 m-85 -109.11 131.03 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.534 0.683 . . . . 0.73999999999999999 111.546 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -106.0 124.76 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.614 -1.175 . . . . 2.0699999999999998 110.393 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -142.24 123.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.019 0.437 . . . . 1.1899999999999999 111.022 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' C' ' 1' ' ' MET . 15.6 mt -92.96 117.45 36.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.819 -0.628 . . . . 1.1799999999999999 110.618 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.413 ' O ' ' HB2' ' C' ' 1' ' ' MET . 0.5 OUTLIER -123.49 111.75 16.68 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.238 -1.023 . . . . 1.49 108.238 179.166 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.669 ' O ' ' N ' ' D' ' 10' ' ' LYS . 53.0 t30 -158.97 71.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 119.148 -0.453 . . . . 2.96 111.864 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . 0.656 ' C ' ' O ' ' D' ' 8' ' ' ASN . . . -5.52 72.95 0.0 OUTLIER Glycine 0 N--CA 1.466 0.659 0 C-N-CA 120.554 -0.832 . . . . 2.9399999999999999 112.182 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' D' ' 8' ' ' ASN . 43.7 mmtt -44.38 109.97 0.19 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.093 0.473 . . . . 7.3700000000000001 112.165 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.47 149.46 50.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.616 -0.72 . . . . 6.1900000000000004 110.671 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -176.39 151.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.962 -0.563 . . . . 8.5999999999999996 110.357 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 133.87 54.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 10.34 110.513 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' D' ' 15' ' ' GLU . . . 153.48 -28.95 0.77 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.476 -0.869 . . . . 7.21 112.584 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . 0.577 ' O ' ' O ' ' D' ' 16' ' ' THR . 0.1 OUTLIER 85.85 -33.11 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.507 0.67 . . . . 8.0899999999999999 111.851 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' THR . . . . . 0.577 ' O ' ' O ' ' D' ' 15' ' ' GLU . 10.1 m 37.84 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 113.945 -1.48 . . . . 7.0 111.238 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.66 -74.35 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.752 -0.593 . . . . 6.1399999999999997 111.058 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 18.4 p -119.83 169.53 10.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.017 -0.538 . . . . 5.4299999999999997 110.639 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -103.16 -173.8 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.002 -0.545 . . . . 5.71 110.19 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.12 -51.73 0.16 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.349 0.595 . . . . 2.6099999999999999 110.113 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . 0.505 HG11 ' CE1' ' C' ' 34' ' ' PHE . 16.1 m -89.01 63.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.972 -1.013 . . . . 1.8500000000000001 111.603 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -99.18 145.51 27.13 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.262 0.553 . . . . 1.6499999999999999 110.761 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.7 -47.07 64.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.475 -0.784 . . . . 1.0900000000000001 110.876 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.02 -31.72 72.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 1.1499999999999999 110.697 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 99.8 m -64.02 -40.96 97.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.013 -0.54 . . . . 1.1100000000000001 110.887 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.438 ' O ' ' CG2' ' D' ' 30' ' ' VAL . 10.4 t80 -65.93 -50.71 63.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.46000000000000002 110.615 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . 0.425 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 62.7 mt-10 -55.03 -49.45 71.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.389 -0.369 . . . . 2.0499999999999998 110.955 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.33 -53.03 41.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.338 0.496 . . . . 2.2999999999999998 112.338 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . 0.493 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 62.1 t -64.17 -45.47 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 N-CA-C 112.095 0.406 . . . . 1.0700000000000001 112.095 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' D' ' 26' ' ' PHE . 43.4 t -68.11 -41.2 84.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.021 -0.536 . . . . 1.0800000000000001 111.402 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 77.5 tttt -71.02 -45.91 63.11 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.802 -0.359 . . . . 1.8500000000000001 110.496 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -64.49 -42.89 95.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.762 0.315 . . . . 2.0699999999999998 111.344 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.493 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 4.4 t80 -63.54 -47.09 83.04 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.641 0.608 . . . . 0.32000000000000001 112.641 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.49 ' CE1' HG11 ' C' ' 21' ' ' VAL . 32.8 m-85 -77.76 -30.56 51.58 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.08 0.77 . . . . 0.85999999999999999 113.08 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 1.1 m120 -54.32 -32.39 56.46 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.212 0.53 . . . . 0.32000000000000001 110.783 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -58.41 -17.2 18.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 1.1799999999999999 112.084 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' D' ' 34' ' ' PHE . 14.2 p30 -110.2 -2.71 16.7 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.839 0.681 . . . . 1.6299999999999999 112.839 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.24 48.5 1.43 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.168 -1.015 . . . . 0.27000000000000002 113.708 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 61.7 t -123.31 138.38 53.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 108.582 -0.896 . . . . 1.0900000000000001 108.582 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -150.57 -174.99 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.201 -0.6 . . . . 1.3 111.698 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.95 -145.61 17.28 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.165 -0.925 . . . . 0.25 112.239 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.53 154.27 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 1.5800000000000001 111.212 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 94.0 m95 -73.2 115.36 12.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.894 -0.594 . . . . 0.39000000000000001 110.919 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -108.29 142.48 38.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.819 -0.628 . . . . 1.05 110.476 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.73 141.04 51.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.566 -0.743 . . . . 0.90000000000000002 110.717 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.35 160.74 32.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.1399999999999999 110.534 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.25 131.14 45.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 2.2599999999999998 111.315 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.09 139.97 33.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.25 -0.432 . . . . 1.0700000000000001 111.623 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -136.97 150.05 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 1.0700000000000001 110.811 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -117.65 138.29 52.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.0 0.429 . . . . 1.3799999999999999 110.585 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 22.2 m -126.44 133.29 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.863 -0.608 . . . . 1.0800000000000001 110.456 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -80.19 121.98 26.26 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.794 0.33 . . . . 0.39000000000000001 111.648 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 46.4 m -99.59 123.82 44.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 1.0600000000000001 110.224 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 19.6 t -69.83 156.75 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 1.0900000000000001 110.909 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 35.3 m -152.77 -71.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 1.1200000000000001 111.086 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.202 -0.904 . . . . 4.3700000000000001 110.939 -179.842 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.408 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.934 0.397 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -89.58 124.24 34.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 35.6 m-85 -108.8 128.58 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.24 0.543 . . . . 0.0 111.925 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -106.74 125.31 50.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.41 122.04 9.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' B' ' 1' ' ' MET . 21.1 mt -92.97 117.27 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.433 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.32 124.17 51.88 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -152.11 -71.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.932 0.396 . . . . 0.0 111.0 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.77 -97.79 1.66 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.492 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.9 tttt 62.44 86.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.4 p -58.82 169.84 0.92 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.08 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 mt -142.21 -62.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -118.44 106.81 13.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.15 -142.66 15.85 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.669 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -160.09 168.49 25.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -143.96 -49.29 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.723 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.6 -68.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.382 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 p -72.44 112.38 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 111.248 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 61.44 99.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.213 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.82 31.38 3.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 t 54.77 65.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' A' ' 25' ' ' THR . 4.7 m-20 -102.49 145.84 28.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.788 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.4 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.955 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -30.25 69.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 51.4 m -61.73 -38.12 86.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.393 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' B' ' 3' ' ' TYR . 25.3 t80 -68.26 -52.69 31.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.797 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 20.0 mt-10 -51.73 -54.41 28.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.909 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -65.75 -51.41 59.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.01 -41.3 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.19 -45.1 77.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -64.06 -44.98 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.975 0.417 . . . . 0.0 110.566 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.32 -45.75 89.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.025 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.531 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.3 t80 -67.29 -46.9 72.21 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.531 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 38.6 m-85 -74.89 -33.27 62.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -30.94 62.1 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.975 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -61.37 -18.09 57.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.093 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -105.44 -19.7 13.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.29 15.12 2.08 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.052 -1.071 . . . . 0.0 114.046 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -89.3 143.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 117.306 0.553 . . . . 0.0 110.872 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -156.28 -177.78 6.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.871 0.367 . . . . 0.0 111.244 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.08 -145.02 18.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.262 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -148.74 156.23 42.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 96.0 m95 -72.96 119.47 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.387 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -113.97 141.5 47.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.547 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.76 143.78 51.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.881 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.65 160.47 32.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -65.85 127.84 33.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.85 142.66 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.107 0.48 . . . . 0.0 111.977 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 m -137.49 156.27 48.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.467 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -127.84 122.26 32.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.015 0.436 . . . . 0.0 111.253 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -107.45 134.1 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.568 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -81.4 116.03 21.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.239 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -89.97 124.43 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.671 0.272 . . . . 0.0 110.544 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.44 155.92 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.103 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -148.46 -67.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.98 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.407 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.886 0.374 . . . . 0.0 111.196 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -89.58 124.2 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.712 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 35.7 m-85 -108.76 128.67 55.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.255 0.55 . . . . 0.0 111.958 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -106.79 125.19 50.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.33 122.08 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 1' ' ' MET . 21.4 mt -92.98 117.26 35.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.439 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.39 124.31 52.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.1 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -151.98 -61.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.058 0.456 . . . . 0.0 110.434 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.15 93.7 2.32 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.601 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -65.71 163.44 16.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.7 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -112.59 166.52 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 mt 62.89 146.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 41.0 mttm 59.24 96.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.89 -156.73 27.15 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.689 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -92.65 144.0 25.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.747 0.308 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 30.8 m -93.05 79.57 4.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 40.5 p -133.66 179.42 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 70.5 p -91.3 -38.84 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.92 89.41 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.14 79.76 1.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 t 55.93 65.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.307 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' B' ' 25' ' ' THR . 4.7 m-20 -102.55 145.92 28.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 111.689 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.98 -42.42 60.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.014 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.12 -30.37 69.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 50.6 m -61.67 -38.08 86.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 25.6 t80 -68.29 -52.62 31.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.412 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 21.6 mt-10 -51.86 -54.33 30.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.885 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -65.66 -51.51 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -62.96 -41.3 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.2 -45.07 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -64.09 -45.01 90.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 110.52 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -63.25 -45.73 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.13 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.3 t80 -67.21 -46.93 72.38 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.526 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 38.3 m-85 -74.88 -33.34 62.05 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.71 -30.89 61.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.967 0.413 . . . . 0.0 110.994 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.38 -18.08 57.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.093 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -105.58 -19.41 13.78 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.93 15.34 2.13 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.068 -1.063 . . . . 0.0 114.023 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 23.1 t -89.42 143.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 117.279 0.54 . . . . 0.0 110.852 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -156.49 -178.3 7.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.61 -144.95 18.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.243 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -148.73 156.15 41.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.412 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 96.0 m95 -73.02 119.3 17.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.374 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.3 p -113.77 141.43 47.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.544 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.66 143.72 51.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.854 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.55 160.49 32.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -65.84 127.57 32.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.73 142.86 27.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.962 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 24.0 m -137.76 156.37 48.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.547 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -127.75 122.27 32.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.005 0.431 . . . . 0.0 111.33 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -107.37 134.09 50.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.559 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -81.43 116.11 21.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.24 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.7 m -89.94 124.6 34.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.696 0.284 . . . . 0.0 110.594 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.53 155.95 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 111.061 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.7 m -148.59 -67.72 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.007 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -89.31 124.18 34.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.664 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.435 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 35.6 m-85 -108.8 128.66 55.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.298 0.571 . . . . 0.0 111.959 -179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -106.8 125.29 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.019 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.33 122.04 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 21.5 mt -92.95 117.25 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.405 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.3 124.12 51.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -152.05 -70.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.437 . . . . 0.0 110.95 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.83 -69.27 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 60.63 163.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.033 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.18 107.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 18.4 mt -123.71 88.25 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -168.93 147.69 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.87 -47.72 1.01 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.575 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 61.42 45.08 8.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.742 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -108.47 -65.95 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 45.4 m -147.26 -65.73 0.27 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.021 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 35.6 p 53.11 73.16 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.368 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -144.34 110.97 5.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.836 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.07 -62.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.366 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 t -77.0 59.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.968 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' C' ' 25' ' ' THR . 4.1 m-20 -102.49 146.38 28.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.088 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.71 -42.16 56.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.915 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.45 -30.25 69.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.128 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 50.7 m -61.76 -38.2 87.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.332 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 25.1 t80 -68.18 -52.67 31.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.759 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.412 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 20.7 mt-10 -51.8 -54.37 29.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.907 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -65.71 -51.42 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -63.07 -41.36 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.6 t -70.26 -44.85 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -64.16 -45.02 90.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.002 0.43 . . . . 0.0 110.573 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.33 -45.8 89.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.008 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.3 t80 -67.23 -46.96 72.22 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.526 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 38.4 m-85 -74.87 -33.21 62.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -30.89 62.33 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.875 0.369 . . . . 0.0 110.964 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.4 -18.06 57.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.04 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -105.59 -19.7 13.69 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.39 15.08 2.07 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.1 -1.048 . . . . 0.0 114.056 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 t -89.4 143.26 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.309 0.554 . . . . 0.0 110.893 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -156.42 -178.38 7.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 111.232 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.69 -145.0 18.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.213 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -148.67 156.11 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.001 0.429 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . 0.412 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 96.0 m95 -72.91 119.57 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.369 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -113.99 141.44 47.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.583 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.78 143.73 51.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.848 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.6 160.42 32.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.89 127.87 33.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.12 142.99 28.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.096 0.474 . . . . 0.0 112.121 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 22.4 m -137.67 156.31 48.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.502 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -127.74 122.25 32.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.414 . . . . 0.0 111.188 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -107.38 134.11 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.647 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.42 116.05 21.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.18 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -89.93 124.6 34.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.701 0.286 . . . . 0.0 110.498 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.47 156.04 7.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 111.025 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -148.54 -67.78 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.976 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -89.47 124.07 34.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.693 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.429 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 35.8 m-85 -108.69 128.67 55.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.179 0.514 . . . . 0.0 111.951 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -106.77 125.27 50.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.38 122.06 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 21.0 mt -92.96 117.22 35.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.431 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.18 124.11 51.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.055 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -152.34 -66.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.2 -108.92 3.74 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 51.9 mttt 63.54 149.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.983 0.421 . . . . 0.0 111.329 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 63.58 104.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -107.85 -68.69 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mttt 60.65 96.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.02 -112.22 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.556 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -117.43 172.73 7.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.065 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -79.68 148.24 31.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.5 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 18.9 p -137.29 179.63 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 111.18 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 76.2 p -105.13 -34.69 7.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.289 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -129.91 133.5 46.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.963 0.411 . . . . 0.0 111.469 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.36 56.99 1.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.607 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 12.5 t 53.83 64.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.627 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.456 ' O ' ' HB ' ' D' ' 25' ' ' THR . 4.7 m-20 -102.41 145.76 29.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.694 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.86 -42.28 58.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.018 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.34 69.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.085 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 51.2 m -61.74 -38.22 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.32 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' C' ' 3' ' ' TYR . 24.8 t80 -68.14 -52.81 30.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.753 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 20.1 mt-10 -51.66 -54.41 28.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.906 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -65.71 -51.49 58.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.97 -41.32 92.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -70.18 -45.1 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -64.14 -44.98 90.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.485 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.39 -45.7 89.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.031 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.515 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.3 t80 -67.16 -47.03 72.23 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.515 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 38.4 m-85 -74.87 -33.23 62.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.88 -30.85 62.2 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.958 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.43 -18.04 57.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.025 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -105.5 -19.75 13.69 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.3 15.19 2.07 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.052 -1.07 . . . . 0.0 114.047 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 t -89.42 143.24 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.297 0.549 . . . . 0.0 110.858 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -156.48 -178.2 7.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.005 0.431 . . . . 0.0 111.161 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.56 -144.99 18.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.221 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -148.64 156.07 41.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . 0.414 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 96.0 m95 -72.95 119.39 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.378 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 68.1 p -113.87 141.45 47.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.572 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -70.75 143.74 51.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.87 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.61 160.44 32.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -65.9 127.97 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.621 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.01 142.56 29.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.134 0.492 . . . . 0.0 112.036 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -137.46 156.34 48.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.508 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -127.81 122.2 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 111.241 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -107.32 134.12 50.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.38 115.94 20.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.212 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -89.87 124.5 34.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.716 0.293 . . . . 0.0 110.484 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.49 156.14 7.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.059 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -148.53 -67.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.957 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.761 0.315 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -89.38 123.79 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.705 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 39.8 m-85 -110.12 132.33 54.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.352 0.596 . . . . 0.0 112.293 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -106.28 130.76 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.841 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.73 128.11 16.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.269 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -96.67 123.62 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.416 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.418 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 2.3 mp -135.1 114.58 12.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.68 0.276 . . . . 0.0 110.534 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -153.97 105.64 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.733 0.302 . . . . 0.0 110.726 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.67 93.68 1.75 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -123.93 179.11 4.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -85.49 85.14 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.3 mt -85.04 -27.55 26.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -104.27 176.82 5.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.953 0.406 . . . . 0.0 111.193 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.89 -35.25 5.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.085 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.02 130.47 35.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.607 0.242 . . . . 0.0 110.641 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t 45.38 -169.74 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.09 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.29 -62.56 0.83 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.048 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 p 57.03 -173.08 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -152.74 138.68 18.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.41 -67.64 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 m -94.6 81.3 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.742 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.8 t70 -99.8 141.8 32.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.379 0.609 . . . . 0.0 111.295 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.21 -42.33 39.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.388 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -29.7 68.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.174 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 78.8 m -62.14 -40.22 95.23 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.049 0.452 . . . . 0.0 110.42 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CD2' ' CD1' ' B' ' 3' ' ' TYR . 19.3 t80 -66.54 -47.22 73.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.948 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.04 -51.7 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.955 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -66.61 -50.24 63.65 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.8 -41.7 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.4 t -72.7 -44.54 59.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.03 -46.39 87.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.774 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -64.35 -44.73 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.561 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.7 t80 -67.7 -46.49 72.1 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.504 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 39.4 m-85 -74.87 -32.13 61.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -29.89 62.62 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.73 -17.82 57.34 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.035 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -106.6 -20.24 13.42 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.7 14.67 1.87 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.249 -0.977 . . . . 0.0 114.305 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.2 t -88.96 143.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.616 0.708 . . . . 0.0 110.679 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -154.45 -178.19 6.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.094 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.08 -143.47 17.97 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.406 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -151.88 158.98 43.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -74.07 118.58 17.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -111.15 141.58 44.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.373 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.87 143.73 52.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.089 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 159.21 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -66.72 129.97 41.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.343 . . . . 0.0 110.747 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.37 143.48 34.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.917 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -138.36 156.52 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.484 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -124.41 119.22 28.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.024 0.44 . . . . 0.0 111.44 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -105.83 133.02 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.21 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -80.85 115.99 20.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.4 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.3 m -94.1 124.04 37.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.31 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.39 154.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 111.416 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.4 m -140.24 -77.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.933 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.721 0.296 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.07 123.67 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.806 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.43 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 39.7 m-85 -110.04 132.05 54.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.284 0.564 . . . . 0.0 112.299 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -106.13 130.99 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.867 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.75 128.04 16.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.284 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mt -96.63 123.41 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.35 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.413 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 2.1 mp -135.1 114.9 12.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.462 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -154.55 109.01 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.38 72.67 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.768 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -113.57 156.91 22.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.668 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -135.77 138.15 42.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.35 -27.16 68.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.233 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -133.37 168.14 19.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 111.378 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.54 67.24 0.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.438 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -153.6 99.37 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.736 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -104.08 116.46 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -153.87 -61.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -76.57 171.08 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.32 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 59.55 165.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.294 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.22 38.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 m -90.4 80.77 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.2 0.524 . . . . 0.0 111.211 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' B' ' 25' ' ' THR . 13.7 t70 -100.03 141.8 32.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.279 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.18 -42.27 39.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.348 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.8 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.177 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 83.9 m -62.09 -40.08 94.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 19.4 t80 -66.71 -47.08 73.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.934 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.03 -51.7 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.917 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -66.79 -50.09 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -61.84 -41.64 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -72.7 -44.6 59.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.0 -46.36 88.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.001 0.429 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.44 -44.66 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.498 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.497 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.7 t80 -67.71 -46.58 71.8 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.497 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 39.4 m-85 -74.92 -32.09 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -29.93 62.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.986 0.422 . . . . 0.0 111.005 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.77 -17.73 57.12 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.026 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -106.68 -20.34 13.38 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.78 14.73 1.84 Allowed Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.225 -0.988 . . . . 0.0 114.252 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 t -89.1 143.27 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 117.654 0.727 . . . . 0.0 110.703 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -154.44 -178.02 6.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 111.019 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.02 -143.76 18.04 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.453 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -151.54 158.73 43.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -73.88 118.75 17.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.351 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 62.9 p -111.27 141.56 44.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.344 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -69.82 143.65 52.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.023 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.42 159.22 34.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.68 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -66.76 130.1 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 143.3 36.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 111.886 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 21.3 m -138.32 156.58 47.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.346 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -124.32 119.38 29.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.999 0.428 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 38.7 m -105.98 132.92 51.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.142 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -80.97 115.97 20.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.348 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 62.5 m -94.02 123.88 37.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.238 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 t -71.43 155.06 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.946 0.403 . . . . 0.0 111.323 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 87.4 m -140.19 -77.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.129 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.41 123.81 33.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.423 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 39.8 m-85 -110.0 132.22 54.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.302 0.572 . . . . 0.0 112.29 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -106.24 130.88 54.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.914 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 19.6 t -142.77 128.22 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.375 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.5 mt -97.01 123.69 49.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.395 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.405 HD12 ' CZ ' ' D' ' 34' ' ' PHE . 2.3 mp -135.1 115.18 13.15 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.418 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -155.94 119.08 4.27 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.84 0.352 . . . . 0.0 111.939 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.94 95.42 2.0 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.274 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.67 86.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 110.551 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 35.3 p -136.66 169.66 17.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.146 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -96.39 -34.06 11.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -164.87 107.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.51 -36.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.711 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -117.13 115.37 25.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -125.47 139.56 53.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m 67.9 -67.68 0.18 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.213 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -62.5 -177.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 161.32 23.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.05 61.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.521 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 m 42.54 81.64 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.228 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.5 t70 -97.65 140.86 31.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.456 0.646 . . . . 0.0 112.136 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.34 -42.22 41.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.371 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.82 -29.76 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.164 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 78.7 m -62.15 -40.16 95.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.5 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.42 ' CD2' ' CD1' ' D' ' 3' ' ' TYR . 19.4 t80 -66.58 -47.26 73.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.985 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.97 -51.65 68.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.009 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -66.69 -50.02 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.75 -41.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -72.63 -44.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.0 -46.4 87.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 0.0 110.768 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.38 -44.66 90.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.495 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.496 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.7 t80 -67.83 -46.43 71.84 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.496 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 39.6 m-85 -74.92 -32.04 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -29.98 62.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.021 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.79 -17.81 57.54 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.039 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -106.62 -20.3 13.4 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.7 14.65 1.87 Allowed Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.213 -0.994 . . . . 0.0 114.343 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 26.3 t -88.96 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 117.613 0.707 . . . . 0.0 110.777 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -154.49 -178.09 6.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 111.155 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.07 -143.49 17.97 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.433 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -151.7 158.92 44.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 111.199 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -74.09 118.58 17.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.308 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 64.0 p -111.21 141.67 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.379 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -70.03 143.68 52.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.044 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 159.31 34.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.677 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.86 130.1 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 143.0 34.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.064 0.459 . . . . 0.0 111.986 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 20.1 m -138.19 156.58 47.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.356 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -124.68 119.4 28.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 0.0 111.299 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 39.4 m -105.9 133.02 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.169 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -80.96 115.95 20.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.363 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 71.8 m -93.99 124.16 37.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.313 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 t -71.74 155.2 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 111.381 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 87.9 m -140.52 -77.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.084 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.926 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.48 123.68 33.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.73 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.42 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 40.1 m-85 -109.97 132.14 54.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.288 0.566 . . . . 0.0 112.269 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -106.22 130.99 53.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.807 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -142.73 128.08 16.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.287 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.7 mt -96.82 123.65 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.424 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.416 HD12 ' CZ ' ' C' ' 34' ' ' PHE . 2.3 mp -135.05 115.06 13.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.378 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -155.64 112.45 3.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.09 120.75 19.2 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.021 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -152.19 160.93 43.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.696 0.284 . . . . 0.0 110.751 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 4.0 t -139.46 146.26 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.005 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -144.16 51.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.078 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -140.07 170.37 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.409 . . . . 0.0 111.293 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.26 -56.08 24.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.413 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.09 170.95 15.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.674 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 12.0 t -92.02 108.92 20.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 70.5 p -87.15 172.2 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -99.32 152.54 19.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.87 138.46 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.967 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.09 -61.49 1.67 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.027 0.441 . . . . 0.0 111.239 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 4.3 m -91.09 80.5 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.056 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.9 t70 -99.69 141.76 32.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.303 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.09 -42.29 38.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.327 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.84 69.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.169 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 82.6 m -62.08 -40.1 94.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.452 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.423 ' CD2' ' CD1' ' C' ' 3' ' ' TYR . 19.5 t80 -66.54 -47.42 72.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.949 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.93 -51.61 68.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.955 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -66.6 -50.36 63.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.73 -41.63 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.6 -44.93 59.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -62.83 -46.42 88.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.967 0.413 . . . . 0.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.26 -44.79 90.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.544 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.7 t80 -67.76 -46.46 71.98 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.504 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 39.1 m-85 -74.9 -32.16 61.74 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -29.96 62.53 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.965 178.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.83 -17.74 57.45 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.011 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -106.56 -20.36 13.39 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.71 14.67 1.86 Allowed Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.248 -0.977 . . . . 0.0 114.269 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 26.0 t -89.04 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 117.607 0.704 . . . . 0.0 110.747 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -154.51 -177.95 6.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.881 0.372 . . . . 0.0 111.037 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.95 -143.63 17.99 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.466 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -151.65 158.81 43.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.102 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -73.95 118.73 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.323 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 59.5 p -111.19 141.61 44.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.308 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -69.98 143.76 52.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.3 159.16 34.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.7 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.63 130.17 42.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.4 143.0 36.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.458 . . . . 0.0 111.908 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -138.13 156.53 47.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.41 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -124.49 119.68 29.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.0 111.393 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 36.9 m -106.34 133.08 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.154 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -80.97 116.01 20.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.442 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 61.7 m -94.02 124.12 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.28 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.69 155.06 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 111.355 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 87.7 m -140.31 -77.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.128 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.894 179.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.45 125.22 35.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.801 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.471 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 37.4 m-85 -108.26 127.08 53.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.22 0.533 . . . . 0.0 112.17 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -106.81 124.79 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.2 125.02 14.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.7 mt -94.67 117.2 37.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.465 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.76 125.0 50.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.979 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -152.99 108.65 3.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.813 0.339 . . . . 0.0 111.065 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.64 100.55 2.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 tttt -154.05 87.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 110.717 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -146.21 113.25 6.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.22 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.59 159.13 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.561 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.46 34.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.38 117.17 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 62.87 133.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.036 0.446 . . . . 0.0 111.343 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t 45.24 -170.55 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.1 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -159.19 158.38 32.58 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.824 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.5 p -125.19 87.18 2.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -76.67 133.92 39.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.34 -63.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.67 70.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.724 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -102.36 145.44 29.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.227 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.21 -43.23 64.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.302 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.34 75.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.078 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.2 m -63.05 -39.56 95.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.308 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CD2' ' CD1' ' B' ' 3' ' ' TYR . 79.1 t80 -64.79 -53.01 53.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.974 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -53.7 -49.24 68.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.866 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -66.81 -48.67 68.23 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.405 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 70.7 t -63.69 -42.2 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -69.82 -45.1 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.041 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -64.17 -45.41 88.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.94 -41.35 95.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.4 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.413 ' CE2' ' CZ ' ' A' ' 34' ' ' PHE . 3.8 t80 -68.39 -48.39 64.83 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.413 ' CZ ' ' CE2' ' A' ' 33' ' ' PHE . 28.9 m-85 -78.03 -31.24 50.33 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -29.22 44.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.014 0.435 . . . . 0.0 111.062 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -61.24 -17.15 51.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.118 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -103.84 -17.82 14.89 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.11 16.3 2.18 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.258 -0.972 . . . . 0.0 113.919 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.14 143.1 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.174 0.487 . . . . 0.0 111.103 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.24 -179.74 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.112 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.51 -144.78 17.76 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.408 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -149.82 157.17 42.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -72.92 120.53 18.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 52.0 p -114.63 139.11 49.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.18 144.45 50.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.486 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.48 157.0 38.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.64 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.1 136.31 54.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.2 140.82 43.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.642 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -136.47 156.44 48.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -117.79 148.08 42.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.5 m -142.12 131.2 23.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.293 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.6 117.99 22.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.37 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -92.59 124.37 36.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.94 155.42 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.965 0.412 . . . . 0.0 111.156 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.8 m -147.73 -68.48 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.938 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.839 0.352 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -90.34 125.3 35.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.473 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 37.4 m-85 -108.36 127.16 53.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.254 0.549 . . . . 0.0 112.137 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -106.77 124.77 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.95 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -142.17 124.76 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -94.45 117.17 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.531 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.407 HD12 ' CD1' ' B' ' 26' ' ' PHE . 0.2 OUTLIER -105.79 124.79 50.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.898 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -153.03 108.88 3.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.004 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.81 -56.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.18 109.82 12.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.1 t -146.3 66.61 1.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.74 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp 59.92 34.5 21.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.811 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -170.49 126.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.59 67.67 1.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.586 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -104.66 32.34 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 17.1 m -111.47 -46.68 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.741 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -75.04 168.0 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.683 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.2 p -79.08 123.51 27.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -74.15 163.36 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.159 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.69 -59.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.55 71.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.165 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -102.81 145.38 29.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.336 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.15 -43.42 64.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.215 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.28 75.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.032 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 18.5 m -63.11 -39.37 94.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.34 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.471 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 78.7 t80 -64.99 -53.03 52.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.877 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -53.75 -49.06 69.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.877 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -66.95 -48.71 67.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 71.2 t -63.51 -42.33 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 49.5 t -69.89 -44.82 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.105 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -64.35 -45.42 87.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.987 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -65.01 -41.29 95.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.466 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.424 ' CE2' ' CZ ' ' B' ' 34' ' ' PHE . 3.8 t80 -68.41 -48.37 64.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.424 ' CZ ' ' CE2' ' B' ' 33' ' ' PHE . 28.7 m-85 -78.05 -31.08 50.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.31 -29.1 46.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.964 0.412 . . . . 0.0 111.04 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -61.18 -17.16 51.62 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.082 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -104.08 -17.72 14.82 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.92 16.46 2.2 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.931 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.12 143.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 117.12 0.46 . . . . 0.0 111.061 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -154.45 -179.72 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 111.129 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.47 -145.08 17.9 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -149.56 156.9 42.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.848 0.356 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -72.65 120.71 18.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.094 0.474 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 55.0 p -114.81 138.83 50.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.95 144.29 50.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.507 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.51 156.94 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.689 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.25 136.46 54.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 140.26 44.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.632 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.6 m -135.75 156.41 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.83 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -117.81 148.08 42.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 11.3 m -142.07 131.13 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.239 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.4 ' HB2' ' CZ3' ' D' ' 43' ' ' TRP . 61.2 t80 -81.47 117.94 22.3 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.379 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 94.8 m -92.64 124.56 36.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.99 156.0 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.934 0.397 . . . . 0.0 111.08 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 55.1 m -148.16 -68.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.843 0.354 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -90.36 125.29 35.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.479 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 37.0 m-85 -108.32 127.13 53.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.287 0.565 . . . . 0.0 112.178 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -106.84 124.77 50.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.951 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.1 t -142.15 124.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -94.77 117.29 38.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.586 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.7 124.83 50.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.941 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -154.97 115.78 3.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.737 0.303 . . . . 0.0 111.354 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.08 88.21 1.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.879 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -71.78 147.75 46.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.628 0.251 . . . . 0.0 110.461 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 53.1 p -79.56 83.14 5.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.794 0.331 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -100.1 175.77 5.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.721 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 176.07 5.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.51 124.43 2.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.359 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -70.5 92.54 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 111.019 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -131.48 92.83 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.64 174.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -97.05 -31.76 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -68.11 136.78 54.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.236 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . 0.461 ' O ' HG11 ' C' ' 21' ' ' VAL . . . -134.53 49.38 2.24 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.914 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . 0.461 HG11 ' O ' ' C' ' 20' ' ' ALA . 6.8 p 42.49 74.5 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.781 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.35 144.66 30.56 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.097 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.42 -43.35 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.235 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.23 75.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 18.3 m -63.11 -39.55 95.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.213 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.479 ' CD2' ' CD1' ' D' ' 3' ' ' TYR . 78.8 t80 -64.92 -52.9 53.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.861 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -53.79 -49.35 68.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.816 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -66.81 -48.59 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 73.3 t -63.68 -42.25 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.8 -44.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.973 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -64.31 -45.44 87.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -65.02 -41.33 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.437 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.423 ' CE2' ' CZ ' ' C' ' 34' ' ' PHE . 3.8 t80 -68.32 -48.46 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.423 ' CZ ' ' CE2' ' C' ' 33' ' ' PHE . 28.7 m-85 -78.13 -31.21 49.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.27 -29.12 45.93 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.057 -0.402 . . . . 0.0 111.059 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.26 -17.15 52.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.967 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -104.0 -17.88 14.8 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.24 16.06 2.18 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.869 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 t -88.89 143.18 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.276 0.538 . . . . 0.0 111.108 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -154.32 -179.57 8.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.926 0.393 . . . . 0.0 111.138 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.29 -144.98 17.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.412 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -149.71 157.02 42.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 110.97 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.79 120.59 18.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.4 p -114.59 138.96 50.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.1 144.23 50.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.448 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.36 157.06 38.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.666 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.04 136.15 54.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.87 140.21 43.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.605 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 19.8 m -135.96 156.39 48.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -117.86 148.32 42.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 12.7 m -142.34 131.13 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.23 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -81.38 118.26 22.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.483 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 91.8 m -92.82 124.34 36.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.284 179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.08 155.38 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.891 0.377 . . . . 0.0 111.128 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 55.5 m -147.72 -68.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.786 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.962 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 121.006 0.431 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.46 125.18 35.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.759 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.479 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 37.2 m-85 -108.27 127.09 53.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.348 0.595 . . . . 0.0 112.144 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -106.75 124.58 49.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -142.2 124.88 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 34.3 mt -94.67 117.33 38.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.515 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.406 HD12 ' CD1' ' D' ' 26' ' ' PHE . 0.2 OUTLIER -105.77 125.26 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.983 179.135 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -152.92 109.05 3.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 111.563 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.27 121.53 21.15 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.316 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -89.07 179.95 6.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 110.919 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -149.29 36.7 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.675 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.73 -35.64 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.061 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -107.62 80.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.22 -178.51 23.54 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.695 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -100.75 105.31 16.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t 44.15 34.69 1.03 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.927 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 5.2 m -100.4 -63.41 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.764 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 7.6 p -76.87 92.3 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -140.93 84.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.6 -36.59 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -85.0 71.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.227 0.537 . . . . 0.0 110.983 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -102.66 145.51 29.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.204 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.06 -43.59 63.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.248 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.031 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 18.6 m -63.01 -39.57 95.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.296 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.479 ' CD2' ' CD1' ' C' ' 3' ' ' TYR . 78.9 t80 -64.95 -52.97 53.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.826 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -53.74 -49.28 68.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.752 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -66.82 -48.8 67.81 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 75.3 t -63.49 -42.21 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 51.8 t -69.89 -44.96 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.034 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -64.11 -45.54 88.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.98 -41.25 95.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.388 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.421 ' CE2' ' CZ ' ' D' ' 34' ' ' PHE . 3.8 t80 -68.46 -48.41 64.6 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.421 ' CZ ' ' CE2' ' D' ' 33' ' ' PHE . 28.5 m-85 -78.07 -31.18 50.05 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -29.09 45.04 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.993 0.425 . . . . 0.0 111.069 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -61.14 -17.23 51.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.053 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -104.14 -17.85 14.75 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.24 16.42 2.13 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.855 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.27 143.19 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.221 0.511 . . . . 0.0 111.052 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -154.28 -179.41 7.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.17 -145.08 18.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -149.74 157.05 42.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.851 0.358 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . 0.4 ' CZ3' ' HB2' ' B' ' 52' ' ' PHE . 88.5 m95 -72.83 120.44 18.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 51.9 p -114.55 139.23 49.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.778 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -71.14 144.5 50.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.457 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.54 156.96 38.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.85 136.06 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 140.61 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.702 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -136.28 156.47 48.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -117.8 148.27 42.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 11.6 m -142.37 131.25 22.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.263 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -81.68 118.34 22.75 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.496 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -93.04 124.48 37.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.234 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.03 155.54 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 53.0 m -147.89 -68.16 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.81 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.004 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.734 0.302 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.67 123.28 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.569 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 36.9 m-85 -110.88 132.77 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.34 0.591 . . . . 0.0 112.082 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -106.44 129.32 54.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.36 123.11 11.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 mt -96.55 117.22 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.58 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -106.08 122.71 46.72 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.838 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -155.17 111.0 3.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.948 0.404 . . . . 0.0 111.63 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.51 78.56 0.57 Allowed Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.667 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -123.46 176.11 6.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.662 0.268 . . . . 0.0 110.848 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.31 147.21 39.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.074 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 tp -86.08 -48.2 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.068 0.461 . . . . 0.0 110.752 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -154.98 94.9 1.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.805 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.89 142.9 3.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.3 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.71 101.73 8.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 111.086 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 t -101.58 144.5 30.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.706 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.4 m -98.07 -35.75 10.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.079 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -142.3 143.28 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.82 144.72 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.968 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.84 -57.92 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.3 t -96.12 90.58 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.837 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.8 t70 -100.61 137.69 38.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.811 -179.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.21 -44.35 10.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.851 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -24.52 66.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.473 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 96.4 m -60.73 -40.06 90.98 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.075 0.464 . . . . 0.0 110.38 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' B' ' 3' ' ' TYR . 26.3 t80 -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.43 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 39.1 mt-10 -54.97 -52.74 62.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.135 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -67.39 -48.1 68.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.58 -42.01 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.98 -46.2 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -63.42 -45.27 91.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.004 0.431 . . . . 0.0 110.408 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -62.83 -46.02 89.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.143 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.519 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.9 t80 -67.86 -46.35 71.97 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 37.3 m-85 -75.32 -32.75 61.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -30.65 60.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.059 0.457 . . . . 0.0 111.15 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -62.24 -17.87 59.59 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.272 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -106.12 -20.86 13.28 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.65 13.62 2.02 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 120.206 -0.997 . . . . 0.0 114.335 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.8 t -89.01 143.22 11.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 117.668 0.734 . . . . 0.0 110.635 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -156.84 -178.22 7.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.125 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.04 -145.42 17.68 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.261 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -148.61 156.11 41.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 111.056 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.419 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 88.8 m95 -72.9 117.1 14.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.034 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -111.05 138.58 47.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.533 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -70.24 142.73 52.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.624 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.4 158.0 37.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.55 132.48 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.772 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.36 141.14 37.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.13 0.491 . . . . 0.0 111.866 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 m -137.76 156.73 47.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.564 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -125.72 125.03 42.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.878 0.37 . . . . 0.0 111.275 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.9 m -110.36 134.26 52.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.467 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -81.03 118.13 22.22 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.2 m -92.07 121.88 34.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.324 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 t -71.85 156.11 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -150.23 -71.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.807 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.042 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.751 0.31 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.75 123.34 33.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.417 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -110.83 132.66 54.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.566 . . . . 0.0 112.122 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -106.42 129.37 54.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.36 123.36 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mt -96.85 117.18 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 111.556 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.414 HD13 ' CD1' ' B' ' 26' ' ' PHE . 0.5 OUTLIER -105.79 122.78 46.78 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -155.01 109.54 2.97 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.921 0.391 . . . . 0.0 111.435 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.16 37.65 3.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.724 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -98.1 131.77 44.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.79 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 17.3 m -98.65 95.74 7.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 37.8 mt -114.97 -38.67 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -172.79 153.57 2.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.68 -161.65 42.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.597 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 60.25 95.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.0 t -68.06 158.13 33.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.3 p 55.8 -169.73 0.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.404 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.8 t -82.06 165.04 20.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.338 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -151.97 151.64 31.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.447 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.93 65.96 1.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.83 0.348 . . . . 0.0 111.705 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 18.6 t -99.15 91.25 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.065 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.494 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.1 t70 -100.44 137.65 38.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.183 0.516 . . . . 0.0 112.053 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.19 -44.3 10.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.791 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -24.68 66.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.413 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.494 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 95.7 m -60.6 -40.14 90.7 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.18 0.514 . . . . 0.0 110.389 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 26.3 t80 -68.87 -47.19 66.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.523 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.419 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 38.2 mt-10 -55.08 -52.55 62.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.221 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -67.36 -48.3 67.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.35 -42.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.91 -46.45 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -63.24 -45.27 92.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.43 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -62.76 -45.99 90.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.8 t80 -67.93 -46.39 71.64 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.508 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 37.5 m-85 -75.27 -32.86 61.18 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -30.61 60.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.966 0.413 . . . . 0.0 111.163 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.25 -17.91 59.71 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.271 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -106.04 -20.96 13.26 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.78 13.82 1.97 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.224 -0.989 . . . . 0.0 114.263 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.4 t -89.18 143.09 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 117.711 0.756 . . . . 0.0 110.583 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -156.71 -177.98 7.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.095 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.88 -145.53 17.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.145 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -148.65 156.05 41.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 111.041 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.419 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 89.0 m95 -72.85 116.84 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -110.83 138.63 46.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.555 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.3 142.59 52.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.624 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.37 157.94 37.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.48 132.81 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.67 141.46 37.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.042 0.448 . . . . 0.0 111.868 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 34.8 m -138.36 156.95 47.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.457 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -125.81 125.2 42.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.96 0.41 . . . . 0.0 111.298 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 20.1 m -110.14 134.17 52.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.415 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -81.07 118.1 22.21 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.202 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 97.0 m -91.97 121.99 34.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.318 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.96 156.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 111.071 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.0 m -150.15 -71.63 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.815 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.078 179.733 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.87 0.367 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -89.35 123.24 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.588 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.431 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 36.7 m-85 -110.94 132.9 53.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.352 0.596 . . . . 0.0 112.095 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -106.54 129.36 54.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.41 123.23 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.726 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -96.61 117.12 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 111.554 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' C' ' 26' ' ' PHE . 0.5 OUTLIER -106.01 122.4 46.08 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -153.88 109.08 3.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 111.21 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.11 45.47 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.789 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.68 154.96 31.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -169.67 136.11 1.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.24 -49.64 12.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -157.8 174.44 15.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.047 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.47 72.25 0.91 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.672 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -69.66 108.37 3.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.341 . . . . 0.0 110.667 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 26.1 m -96.4 102.2 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 95.8 m 63.5 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.243 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 77.1 p -156.86 162.73 39.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -150.62 113.87 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.62 50.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.344 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 20.7 t -93.89 90.45 2.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.527 179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.488 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.6 t70 -99.8 137.42 38.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.228 0.537 . . . . 0.0 112.165 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.18 -44.12 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.745 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -24.63 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.345 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 96.0 m -60.6 -40.25 91.12 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 0.0 110.291 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 25.8 t80 -68.68 -47.3 66.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.598 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.416 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 38.5 mt-10 -54.94 -52.66 62.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.146 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -67.36 -48.27 67.94 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.42 -42.23 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.69 -46.38 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -63.22 -45.28 92.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.008 0.432 . . . . 0.0 110.473 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -62.87 -46.13 89.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.116 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.51 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.8 t80 -67.76 -46.46 72.02 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 37.3 m-85 -75.28 -32.67 61.09 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -30.41 60.9 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.958 0.408 . . . . 0.0 111.126 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.27 -18.01 60.09 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.197 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -105.96 -20.95 13.27 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.91 13.68 1.96 Allowed Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.168 -1.015 . . . . 0.0 114.242 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 25.7 t -89.13 143.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 117.645 0.722 . . . . 0.0 110.602 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -156.84 -178.28 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.932 0.396 . . . . 0.0 111.026 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.13 -145.33 17.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.276 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -148.8 156.15 41.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . 0.416 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 88.9 m95 -72.97 116.97 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.8 p -110.87 138.7 46.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.599 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.3 142.69 52.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.651 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.54 157.94 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.976 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.37 132.78 49.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.748 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.55 141.21 38.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.883 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 32.1 m -137.78 156.66 47.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.483 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -125.71 125.04 42.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.939 0.4 . . . . 0.0 111.248 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 20.2 m -110.29 134.22 52.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.454 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -81.13 118.01 22.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.217 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 96.9 m -92.07 121.97 34.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.213 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 t -71.74 156.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.111 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 87.3 m -150.42 -71.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.072 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -89.38 123.17 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.606 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.0 m-85 -110.88 132.68 54.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.388 0.613 . . . . 0.0 112.183 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -106.4 129.44 54.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.42 122.99 11.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.754 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mt -96.29 116.97 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 111.482 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.417 HD13 ' CD1' ' D' ' 26' ' ' PHE . 0.5 OUTLIER -104.19 121.49 43.38 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -161.35 -44.58 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.428 0.632 . . . . 0.0 110.279 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.87 -122.9 6.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.48 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 26.8 tttp 57.24 88.59 0.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.879 0.371 . . . . 0.0 110.978 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -164.49 172.63 13.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 tp 58.24 103.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -67.84 100.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.108 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.78 -106.64 0.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -129.18 150.06 50.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.51 -61.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 8.0 m 67.9 -69.11 0.15 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 9.5 t -114.18 142.82 45.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.671 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.11 122.41 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.37 -68.93 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 18.1 t -96.94 91.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.8 t70 -100.68 137.51 38.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.92 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.15 -44.35 10.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.773 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.68 -24.56 66.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.39 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 95.6 m -60.68 -40.07 90.81 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.179 0.514 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.431 ' CE2' ' HB3' ' C' ' 3' ' ' TYR . 26.1 t80 -68.95 -47.06 66.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.56 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . 0.422 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 37.6 mt-10 -55.01 -52.72 62.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.109 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -67.53 -48.15 67.86 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.42 -42.14 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 61.8 t -69.93 -46.28 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -63.29 -45.38 91.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.423 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -62.71 -45.99 90.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.158 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.505 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.8 t80 -68.0 -46.39 71.43 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.505 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 37.6 m-85 -75.26 -32.7 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -30.6 61.04 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.138 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -62.26 -17.8 59.48 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.258 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -106.12 -20.93 13.26 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.73 13.77 1.98 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.226 -0.988 . . . . 0.0 114.288 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 25.2 t -89.16 143.2 11.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 117.632 0.716 . . . . 0.0 110.542 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -156.82 -178.03 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.03 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.86 -145.63 17.81 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.222 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -148.55 155.89 41.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 111.095 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . 0.422 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 88.9 m95 -72.72 117.05 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 59.0 p -110.94 138.57 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.51 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.2 142.78 52.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.653 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.49 157.87 37.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.41 132.61 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.2 140.62 38.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.912 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 32.9 m -136.96 156.55 48.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.558 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -125.6 124.98 42.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 111.235 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 19.8 m -110.56 134.16 52.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.431 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -81.06 117.99 22.12 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.224 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -91.76 121.8 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.305 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.3 t -71.8 156.11 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 111.103 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 88.3 m -150.07 -71.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.938 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.211 -0.899 . . . . 0.0 111.104 179.695 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.816 0.341 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.78 125.51 36.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.049 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CD1' ' CD1' ' B' ' 26' ' ' PHE . 43.4 m-85 -109.68 134.63 51.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.319 0.58 . . . . 0.0 112.488 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -106.57 126.99 52.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.487 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.92 130.25 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.371 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -97.14 133.12 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.4 OUTLIER -134.2 120.17 19.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.317 179.327 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -152.99 -69.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.182 0.515 . . . . 0.0 110.528 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.51 71.74 0.59 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.519 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -159.88 143.37 14.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 0.0 110.679 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -120.93 164.15 17.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.139 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 tp -89.76 -34.95 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.068 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -106.13 91.04 3.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.29 158.27 9.48 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.38 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -92.08 173.92 7.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.1 m -65.04 152.89 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.89 -51.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -161.1 130.05 4.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.73 179.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -164.62 -63.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.558 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -87.46 92.16 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.109 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -102.26 143.41 32.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.45 -43.25 55.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.38 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.55 73.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.086 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 m -63.27 -41.43 99.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.355 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' CD1' ' B' ' 3' ' ' TYR . 59.4 t80 -65.08 -53.57 43.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.027 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.409 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 30.6 mt-10 -54.22 -49.02 70.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.081 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.65 -50.4 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.413 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 57.6 t -61.72 -39.59 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.412 HG22 ' CE1' ' A' ' 26' ' ' PHE . 61.9 t -69.0 -45.63 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.797 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -64.5 -45.06 88.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.059 0.457 . . . . 0.0 110.668 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -64.31 -43.3 95.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.335 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 3.9 t80 -67.52 -47.59 69.5 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 29.7 m-85 -78.28 -32.29 49.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.18 -29.15 30.14 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.008 0.432 . . . . 0.0 111.171 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -61.3 -17.14 52.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.143 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -103.9 -18.03 14.78 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.63 17.22 2.15 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.704 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.6 t -88.43 143.23 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 117.084 0.442 . . . . 0.0 110.899 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -152.96 178.55 9.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 0.0 111.114 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.76 -144.68 17.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.368 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -150.12 157.39 43.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.983 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.409 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 85.6 m95 -73.52 122.08 21.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.9 p -114.79 138.19 51.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.659 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -71.83 143.67 49.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.744 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.38 156.72 39.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.691 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 141.56 55.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.775 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.57 138.59 51.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.589 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.0 m -128.55 156.67 42.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.11 137.58 52.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.762 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.2 m -136.64 126.38 25.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -80.76 124.8 29.35 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.633 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -99.11 122.26 42.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.261 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.88 155.72 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.929 0.395 . . . . 0.0 111.153 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 m -150.73 -70.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.958 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.853 0.359 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.94 125.63 36.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.065 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.455 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 44.1 m-85 -109.83 134.66 51.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -106.65 127.0 53.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.485 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.97 130.39 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.481 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 12.6 mt -97.41 132.14 42.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.433 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.409 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -134.7 122.13 21.76 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.679 179.49 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -146.61 122.03 10.33 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.441 0.639 . . . . 0.0 112.238 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.11 61.46 0.45 Allowed Glycine 0 CA--C 1.518 0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.694 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -151.69 121.41 6.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 0.0 111.014 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 66.4 p 52.02 76.79 0.17 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.576 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 mp -108.9 -33.09 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.637 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -150.75 84.93 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.742 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.76 -77.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.548 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -97.53 175.59 6.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.976 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.8 t -58.98 -33.48 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.232 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 12.2 p 55.75 -170.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -127.49 149.38 50.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.037 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 60.88 85.94 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.3 60.27 1.35 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.285 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 m 38.77 96.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.053 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -102.0 142.65 32.94 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.402 0.62 . . . . 0.0 111.92 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.75 -43.36 58.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.457 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.64 74.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.045 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 27.5 m -63.3 -41.38 98.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.38 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 3' ' ' TYR . 59.3 t80 -64.94 -53.66 42.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.97 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.405 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 29.6 mt-10 -54.29 -48.95 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.033 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.7 -50.43 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 57.7 t -61.71 -39.65 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.418 HG22 ' CD1' ' B' ' 26' ' ' PHE . 62.9 t -68.89 -45.88 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.789 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -64.37 -45.11 89.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.538 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -64.2 -43.47 94.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.405 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 3.9 t80 -67.28 -47.61 70.15 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.41 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 29.1 m-85 -78.21 -32.46 49.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.06 -29.14 28.27 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 122.033 -0.417 . . . . 0.0 111.112 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -61.24 -17.11 51.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.149 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -104.09 -18.01 14.71 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.59 17.54 2.11 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.68 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.2 t -88.71 143.25 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.091 0.445 . . . . 0.0 110.836 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -153.12 178.04 10.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.916 0.389 . . . . 0.0 111.103 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.47 -144.5 17.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -150.3 157.35 42.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.405 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 85.5 m95 -73.63 122.16 21.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.112 0.482 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.9 p -114.86 138.31 50.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.632 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -71.94 143.65 49.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.691 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.48 156.84 38.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.52 141.59 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.69 138.8 52.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.572 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 57.0 m -129.11 156.75 43.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.024 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -116.12 137.61 51.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.978 0.418 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 33.3 m -136.53 126.39 25.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.249 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -80.63 124.43 28.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.723 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 84.7 m -98.92 122.31 42.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.272 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.07 155.6 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.86 0.362 . . . . 0.0 111.218 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.8 m -150.74 -70.5 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.047 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.877 0.37 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.87 125.72 36.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.978 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.469 ' CD1' ' CD1' ' D' ' 26' ' ' PHE . 43.3 m-85 -109.87 134.59 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.354 0.597 . . . . 0.0 112.494 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -106.54 126.73 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.48 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.75 130.16 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.426 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -97.01 133.2 39.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.411 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.4 OUTLIER -134.25 119.97 19.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.286 179.309 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -153.24 -72.97 0.14 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.171 0.51 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.8 64.87 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt 62.38 152.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -101.62 146.38 27.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 60.39 112.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -131.75 150.57 52.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.693 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.1 39.5 0.46 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -171.82 164.13 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 88.2 m -60.75 110.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.649 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.08 150.73 49.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.189 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -92.7 138.92 31.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.6 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -75.41 160.56 30.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.975 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.87 -71.83 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 3.1 m -85.0 91.28 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.147 0.498 . . . . 0.0 110.957 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -102.26 143.29 32.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.189 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.26 -43.29 53.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.378 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.67 -32.7 74.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 28.7 m -63.21 -41.58 99.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.463 ' CD1' ' CD1' ' D' ' 3' ' ' TYR . 59.0 t80 -64.84 -53.77 41.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.949 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.406 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 29.5 mt-10 -54.21 -48.82 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.083 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.86 -50.32 65.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 57.3 t -61.8 -39.66 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . 0.418 HG22 ' CD1' ' C' ' 26' ' ' PHE . 62.2 t -68.92 -45.68 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.745 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 53.5 tttt -64.5 -45.01 89.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.02 0.438 . . . . 0.0 110.59 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -64.35 -43.25 95.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.368 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 3.9 t80 -67.4 -47.66 69.64 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.402 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 29.1 m-85 -78.25 -32.28 49.61 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -53.27 -29.13 31.33 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.95 0.405 . . . . 0.0 111.14 179.15 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -61.25 -17.19 52.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.154 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -103.91 -18.14 14.73 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.84 17.27 2.1 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.783 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 24.7 t -88.31 143.3 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.099 0.45 . . . . 0.0 110.881 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -153.22 178.13 10.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.961 0.41 . . . . 0.0 111.082 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.23 -144.63 17.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.317 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -150.14 157.26 42.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . 0.406 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 85.2 m95 -73.53 122.02 21.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.112 0.482 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.8 p -114.75 138.25 50.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.647 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.79 143.82 49.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.686 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.57 156.74 39.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.51 141.7 55.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.66 138.69 52.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.626 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 56.5 m -128.63 156.59 43.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.02 137.73 51.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 33.2 m -136.82 126.34 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.229 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -80.67 124.6 29.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.637 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -99.05 122.29 42.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.257 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.84 155.71 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.375 . . . . 0.0 111.159 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 72.4 m -150.74 -70.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.947 179.853 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.78 125.62 36.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.055 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.463 ' CD1' ' CD1' ' C' ' 26' ' ' PHE . 43.7 m-85 -109.81 134.5 51.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.381 0.61 . . . . 0.0 112.405 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -106.5 126.79 52.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.477 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.63 130.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.424 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -97.14 132.99 40.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.402 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.4 OUTLIER -134.2 120.06 19.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.302 179.297 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -152.87 -73.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.141 0.496 . . . . 0.0 110.658 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.38 85.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.291 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -103.64 89.27 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.082 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -139.43 146.78 40.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -77.02 177.96 7.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttt 63.71 134.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.74 143.55 45.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.697 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 60.36 75.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -71.29 -34.76 70.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 22.2 m 67.83 -68.87 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -66.45 109.41 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.6 116.75 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.19 -78.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.783 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -85.02 93.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -102.28 143.37 32.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.359 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.44 -43.44 55.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.352 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.51 73.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 28.9 m -63.23 -41.56 99.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.356 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.469 ' CD1' ' CD1' ' C' ' 3' ' ' TYR . 59.0 t80 -64.89 -53.74 41.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.964 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 29.7 mt-10 -54.3 -48.78 70.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.098 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -65.81 -50.39 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 57.9 t -61.7 -39.63 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . 0.418 HG22 ' CE1' ' D' ' 26' ' ' PHE . 61.7 t -68.97 -45.8 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.752 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -64.36 -45.04 89.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.01 0.433 . . . . 0.0 110.522 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -64.38 -43.46 94.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.32 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.421 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 3.9 t80 -67.26 -47.59 70.25 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.411 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 29.3 m-85 -78.3 -32.27 49.27 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.27 -29.14 31.4 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.899 0.381 . . . . 0.0 111.086 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -61.2 -17.18 51.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.064 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -103.93 -18.1 14.74 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.61 17.57 2.1 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.211 -0.995 . . . . 0.0 113.688 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 t -88.67 143.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 117.094 0.447 . . . . 0.0 110.799 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -153.06 178.27 9.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.916 0.389 . . . . 0.0 111.101 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.15 -144.71 17.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.354 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -150.13 157.31 42.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.971 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . 0.408 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 85.0 m95 -73.61 122.07 21.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.077 0.465 . . . . 0.0 111.111 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.8 p -114.74 138.14 51.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.669 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.76 143.51 49.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.742 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.36 156.71 39.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.763 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.37 141.53 55.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.748 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.58 138.49 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.57 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 55.2 m -128.29 156.57 42.83 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.13 137.33 52.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.782 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 34.0 m -136.58 126.41 25.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.251 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -80.58 124.44 28.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.666 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -98.85 122.26 41.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.338 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.02 155.7 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.401 . . . . 0.0 111.187 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 73.2 m -150.71 -70.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.982 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.756 0.313 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -87.18 123.12 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.657 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.411 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 36.0 m-85 -108.67 129.53 55.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.347 0.594 . . . . 0.0 112.098 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.2 125.64 51.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.605 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -142.34 125.58 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.247 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.58 124.57 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.491 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.411 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp -134.55 113.55 11.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.077 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -153.03 -63.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.064 0.459 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.96 -47.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.751 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm 61.53 111.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 t -155.11 147.91 24.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.702 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 tp -166.77 -54.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.98 0.419 . . . . 0.0 111.06 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -152.03 95.46 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.52 -127.39 1.13 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.03 167.55 21.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 t -83.09 154.11 24.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p 51.51 179.94 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.332 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -140.47 150.88 44.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.05 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -171.36 74.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.66 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.75 -65.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.234 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 m -98.75 85.45 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.218 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.1 t70 -101.99 144.36 30.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.337 0.589 . . . . 0.0 111.605 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.57 -42.99 56.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.328 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.45 -29.52 69.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 87.2 m -62.2 -39.41 92.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.075 0.464 . . . . 0.0 110.401 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' B' ' 3' ' ' TYR . 16.9 t80 -67.82 -50.41 56.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.861 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -53.75 -54.63 35.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.368 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.75 -50.44 64.74 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.4 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 55.3 t -62.96 -42.21 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.2 t -70.57 -45.77 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.32 -46.08 88.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.076 0.465 . . . . 0.0 110.399 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.59 -46.79 86.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.25 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.513 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.5 t80 -67.13 -45.9 75.72 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.513 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 35.4 m-85 -75.07 -34.63 61.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.38 -31.65 61.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.016 0.436 . . . . 0.0 110.931 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.14 -17.62 58.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.062 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -105.53 -21.54 13.19 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.0 14.31 1.85 Allowed Glycine 0 CA--C 1.523 0.58 0 C-N-CA 120.308 -0.948 . . . . 0.0 114.239 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.6 t -88.96 143.29 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 117.581 0.69 . . . . 0.0 110.492 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.5 179.03 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 111.104 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.87 -144.82 17.59 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.391 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -149.01 156.13 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -73.89 118.15 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.14 0.495 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.2 p -110.91 141.28 44.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.527 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -69.75 143.98 52.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.897 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.32 159.26 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.033 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.32 128.97 38.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.515 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.28 142.35 32.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.868 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -136.49 156.6 48.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -124.27 119.85 30.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.988 0.423 . . . . 0.0 111.426 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.4 m -106.58 131.94 53.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.394 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -80.47 117.33 21.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.293 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -91.51 124.11 35.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.408 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 t -72.03 156.81 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.982 0.42 . . . . 0.0 111.112 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.8 m -150.13 -69.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.825 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.046 179.845 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -87.25 122.99 31.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.655 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 36.0 m-85 -108.65 129.4 55.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.291 0.567 . . . . 0.0 112.143 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.07 125.74 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.62 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -142.41 125.57 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.281 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.55 124.46 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.441 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.405 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp -134.67 113.43 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.172 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -152.62 -66.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.978 0.418 . . . . 0.0 111.114 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.85 70.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.429 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -70.07 165.05 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.03 75.09 0.2 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.441 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 74.3 mt -101.83 -33.71 9.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -101.46 178.21 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.29 -84.29 1.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.628 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.21 126.95 10.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.053 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.4 m -93.61 143.46 26.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.602 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -138.15 -62.37 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.21 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 29.7 p -154.35 118.52 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.391 . . . . 0.0 111.199 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -169.8 143.97 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.668 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.81 44.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.437 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.57 85.31 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.955 0.407 . . . . 0.0 110.843 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' B' ' 25' ' ' THR . 29.1 t70 -101.85 144.33 30.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.641 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.5 -43.0 55.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.284 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.56 69.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 88.3 m -62.08 -39.47 92.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.054 0.454 . . . . 0.0 110.421 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 16.9 t80 -67.9 -50.42 56.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.805 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -53.8 -54.46 38.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.335 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -65.95 -50.33 64.73 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.4 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 56.1 t -62.93 -42.25 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.55 -45.93 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.2 -45.99 89.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.986 0.422 . . . . 0.0 110.445 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.53 -46.9 86.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.216 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.6 t80 -67.13 -45.98 75.5 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.508 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 35.3 m-85 -74.96 -34.72 62.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -31.65 61.88 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.042 0.449 . . . . 0.0 110.899 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.13 -17.69 58.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.023 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -105.43 -21.64 13.18 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.01 14.41 1.84 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.284 -0.96 . . . . 0.0 114.161 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 t -89.0 143.31 11.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 117.622 0.711 . . . . 0.0 110.554 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.63 178.87 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.03 -144.9 17.55 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.416 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -148.92 156.13 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.75 118.14 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.159 0.504 . . . . 0.0 111.222 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 60.5 p -110.97 141.31 44.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.412 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -69.85 144.15 52.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.864 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.46 159.15 34.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.956 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.29 129.15 38.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.434 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.57 142.42 33.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.115 0.483 . . . . 0.0 111.859 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -136.44 156.61 48.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.511 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -124.36 119.72 30.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.981 0.42 . . . . 0.0 111.385 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -106.5 132.05 52.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.402 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -80.47 117.33 21.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.27 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 84.8 m -91.53 124.01 35.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.468 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 t -71.91 156.93 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.968 0.413 . . . . 0.0 111.146 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 70.3 m -150.25 -69.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.759 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.992 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.709 0.29 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -87.18 123.14 31.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.413 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 36.1 m-85 -108.73 129.53 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.326 0.584 . . . . 0.0 112.073 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.19 125.58 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.593 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 t -142.31 125.56 14.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.309 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.1 mt -93.59 124.46 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.434 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -134.66 113.51 11.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.079 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -153.16 -64.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.14 -54.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.123 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt 59.36 172.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.184 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p 54.2 98.83 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.308 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.59 74.66 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -143.17 -171.95 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.689 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.15 -103.48 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.424 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 60.3 179.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 111.07 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -60.1 150.05 30.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.19 -177.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.979 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p 59.02 -177.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 19.4 pm0 -129.32 168.47 16.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.784 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.19 -46.66 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.093 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.06 85.47 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.771 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.422 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.9 t70 -101.69 144.39 30.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.406 0.622 . . . . 0.0 111.603 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.63 -42.93 56.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.246 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -29.53 68.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 90.0 m -62.14 -39.43 92.56 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.048 0.452 . . . . 0.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 16.8 t80 -67.78 -50.5 56.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.832 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -53.72 -54.63 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.283 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.74 -50.49 64.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.94 -42.21 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.5 -45.98 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -63.17 -46.05 88.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.087 0.47 . . . . 0.0 110.439 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.54 -46.96 85.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.21 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.499 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.6 t80 -67.07 -45.81 76.19 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 35.5 m-85 -75.07 -34.71 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.27 -31.73 61.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.024 0.44 . . . . 0.0 110.902 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.18 -17.52 58.33 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.994 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -105.52 -21.61 13.17 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.0 14.41 1.84 Allowed Glycine 0 CA--C 1.523 0.542 0 C-N-CA 120.323 -0.942 . . . . 0.0 114.178 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 31.7 t -89.03 143.27 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 117.614 0.707 . . . . 0.0 110.52 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.51 179.1 9.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.03 0.443 . . . . 0.0 111.086 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.89 -144.72 17.53 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.364 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -149.01 156.2 41.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.85 118.12 16.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.163 0.506 . . . . 0.0 111.214 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.6 p -110.99 141.29 44.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.499 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -69.82 144.04 52.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.833 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.36 159.25 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.33 129.16 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.499 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.53 142.48 33.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.112 0.482 . . . . 0.0 111.803 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -136.53 156.56 48.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.541 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -124.34 119.71 30.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.034 0.445 . . . . 0.0 111.461 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 44.7 m -106.37 131.95 52.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.388 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -80.45 117.27 21.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.264 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -91.45 124.0 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.411 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 t -71.97 156.88 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 0.0 111.151 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 71.1 m -150.18 -69.38 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.781 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.075 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.758 0.313 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -87.12 123.06 31.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.682 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.413 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.0 m-85 -108.61 129.43 55.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.234 0.54 . . . . 0.0 112.119 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -106.17 125.78 51.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.598 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 17.2 t -142.41 125.52 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.258 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.49 124.48 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.506 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -134.73 113.48 11.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.111 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -152.96 -64.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.47 . . . . 0.0 110.954 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.74 101.61 0.17 Allowed Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -59.49 154.23 17.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.006 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.94 145.76 42.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.038 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -148.06 141.55 25.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -66.73 89.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.42 -124.49 1.0 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.439 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 166.32 22.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.674 0.273 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 8.5 t -85.1 140.86 30.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 36.4 p -74.0 174.84 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 3.9 t -133.21 34.76 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.746 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 63.01 127.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.74 -63.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.46 85.73 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.044 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' D' ' 25' ' ' THR . 29.1 t70 -102.05 144.44 30.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.473 0.654 . . . . 0.0 111.503 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.65 -42.9 56.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.241 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.57 -29.59 68.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 86.8 m -62.15 -39.27 92.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.43 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' C' ' 3' ' ' TYR . 17.0 t80 -67.98 -50.39 55.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.811 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.71 -54.63 35.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.276 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.95 -50.35 64.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.95 -42.23 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.49 -45.91 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.22 -46.04 88.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.008 0.432 . . . . 0.0 110.386 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.58 -46.85 86.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.238 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.6 t80 -67.08 -45.91 75.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 35.6 m-85 -75.13 -34.53 61.67 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -31.65 62.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.1 0.476 . . . . 0.0 110.966 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.15 -17.63 58.5 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.003 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -105.53 -21.55 13.19 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.85 14.54 1.85 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.33 -0.938 . . . . 0.0 114.234 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 31.4 t -89.11 143.31 11.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 117.541 0.671 . . . . 0.0 110.505 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.59 178.93 9.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.02 -144.95 17.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.295 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -148.92 156.15 41.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.89 118.2 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.231 0.539 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 60.9 p -110.99 141.26 44.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.5 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -69.78 144.03 52.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.923 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 159.25 34.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.36 128.98 38.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.47 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.29 142.3 32.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.897 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -136.46 156.6 48.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.537 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -124.25 119.72 30.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 111.458 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 44.7 m -106.42 132.07 52.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.389 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -80.54 117.35 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -91.48 124.0 35.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.472 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 t -71.89 156.95 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.937 0.399 . . . . 0.0 111.144 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 70.9 m -150.33 -69.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.803 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.97 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.859 0.362 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -88.86 124.55 34.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.804 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.42 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 42.4 m-85 -112.8 132.11 55.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.405 0.621 . . . . 0.0 112.355 -179.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -106.36 128.39 53.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.91 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.34 124.09 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.933 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -96.95 117.19 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.871 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -114.02 123.02 48.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.0 178.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -155.33 107.96 2.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.814 0.34 . . . . 0.0 110.716 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.97 97.49 0.65 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt 59.71 175.36 0.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.8 m -150.71 97.78 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.2 mt -128.63 164.53 22.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.738 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -101.14 84.42 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.06 -87.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.59 124.43 31.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.343 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -83.13 66.04 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -75.29 175.98 7.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.689 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -154.93 160.98 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -147.43 76.27 1.4 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.487 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 79.25 -56.29 0.42 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.033 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 t -73.28 62.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.123 0.487 . . . . 0.0 111.652 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.2 t70 -103.31 144.48 31.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.653 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.29 -43.66 61.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.374 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -30.41 70.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.195 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 27.2 m -62.09 -36.45 81.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.049 0.452 . . . . 0.0 110.224 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CD1' HD13 ' A' ' 7' ' ' LEU . 37.3 t80 -67.09 -47.66 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.692 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.98 -51.03 70.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.008 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -67.27 -48.89 66.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.13 -40.71 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -71.87 -45.56 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -62.63 -46.11 89.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.014 0.435 . . . . 0.0 110.764 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -63.09 -45.84 90.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.355 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.5 t80 -68.03 -46.58 70.8 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 39.7 m-85 -75.02 -30.93 61.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -30.56 63.4 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 111.194 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.2 -17.88 59.47 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.274 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -106.27 -21.09 13.2 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.49 13.31 1.88 Allowed Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.26 -0.971 . . . . 0.0 114.084 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.3 t -88.73 143.39 11.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 117.611 0.706 . . . . 0.0 110.546 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -157.96 -178.98 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.084 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.24 -145.07 17.52 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.216 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -148.34 155.3 41.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -74.26 115.29 13.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.22 142.19 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.441 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.35 144.79 51.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.877 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.37 158.8 35.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.07 129.97 41.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.55 141.18 32.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.065 0.46 . . . . 0.0 112.128 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -138.6 156.66 47.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.577 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -126.03 123.32 38.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 111.245 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.2 m -107.74 134.21 51.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.434 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.59 116.43 20.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.26 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.3 m -90.77 122.73 33.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.329 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -71.46 155.64 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 111.229 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 m -149.88 -69.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.886 -179.811 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -88.7 124.53 34.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.819 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.416 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 41.9 m-85 -112.82 132.06 55.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.389 0.614 . . . . 0.0 112.461 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -106.42 128.4 54.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.96 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.19 124.1 13.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.932 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 35.7 mt -96.84 117.17 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.839 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' B' ' 26' ' ' PHE . 0.4 OUTLIER -113.82 123.2 49.24 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.017 178.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -154.98 109.79 3.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.7 86.65 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.779 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 158.3 43.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.708 0.29 . . . . 0.0 110.742 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 53.9 p 52.09 92.67 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.359 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tt -162.96 148.82 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.08 120.58 22.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.04 64.27 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -72.87 123.15 22.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 111.126 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 8.4 m -88.62 -57.47 2.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.735 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -147.53 -50.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -141.35 168.98 18.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -76.65 147.7 37.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.86 -66.71 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.425 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.7 t -72.69 62.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.454 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' B' ' 25' ' ' THR . 12.6 t70 -103.43 144.59 31.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.549 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.43 -43.28 61.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.291 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.49 70.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.176 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 26.0 m -62.14 -36.26 81.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.206 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.425 ' CD1' HD13 ' B' ' 7' ' ' LEU . 37.8 t80 -67.23 -47.68 70.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.719 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.96 -51.14 70.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.951 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -67.08 -48.79 67.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -62.24 -40.6 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.3 t -71.92 -45.49 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -62.74 -45.93 90.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 110.734 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.38 -45.73 89.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.228 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.5 t80 -68.06 -46.54 70.79 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.504 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 39.9 m-85 -75.08 -31.02 61.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.65 -30.53 63.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.256 178.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -62.33 -17.66 59.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.261 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -106.32 -21.11 13.19 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.28 13.28 1.93 Allowed Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.32 -0.943 . . . . 0.0 114.252 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 24.5 t -88.74 143.29 11.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 117.535 0.668 . . . . 0.0 110.611 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -157.89 -179.16 7.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 111.095 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.44 -144.8 17.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.148 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -148.59 155.29 40.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -74.31 115.43 13.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.165 0.507 . . . . 0.0 111.19 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 31.1 p -110.35 142.01 42.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.472 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.28 144.57 51.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.839 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.22 158.86 35.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.1 130.15 42.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.686 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.59 141.05 33.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.085 0.469 . . . . 0.0 112.093 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -138.41 156.55 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.425 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -126.09 123.44 38.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 0.0 111.2 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 31.3 m -107.95 134.37 50.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.45 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.65 116.54 20.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.255 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 86.2 m -90.99 122.46 33.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.353 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.25 155.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.871 0.367 . . . . 0.0 111.24 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 61.8 m -149.92 -69.67 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.923 -179.876 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.829 0.347 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -88.83 124.56 34.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 42.4 m-85 -112.83 132.26 55.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.411 0.625 . . . . 0.0 112.443 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -106.42 128.33 53.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.973 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.24 124.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.006 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -97.15 117.19 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.926 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.414 HD13 ' CD1' ' C' ' 26' ' ' PHE . 0.4 OUTLIER -113.89 123.16 49.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.97 178.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -155.04 109.62 2.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.756 0.313 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.07 68.59 3.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.396 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -154.83 137.38 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.41 108.34 7.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tt -84.45 -36.07 22.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.633 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -136.87 118.29 14.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.655 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.21 -41.35 0.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 57.71 31.79 20.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -76.59 -41.14 47.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 9.9 p 56.57 -175.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.212 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 10.1 p 50.37 35.52 11.04 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.652 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -125.54 123.65 39.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.04 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.2 -86.39 0.27 Allowed 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.464 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 t 50.14 68.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-O 121.126 0.489 . . . . 0.0 111.251 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' C' ' 25' ' ' THR . 12.0 t70 -102.86 144.15 31.55 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.528 0.68 . . . . 0.0 112.439 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.88 -43.65 63.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.423 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -30.48 70.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 25.7 m -62.18 -36.17 81.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.212 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 38.4 t80 -67.16 -47.84 69.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.669 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.92 -51.17 70.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.931 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -66.96 -48.9 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.22 -40.57 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -72.08 -45.48 62.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -62.73 -46.04 89.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 0.0 110.661 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.27 -45.91 89.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.317 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.501 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.5 t80 -67.94 -46.54 71.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.501 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 39.9 m-85 -75.02 -31.06 61.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -30.52 63.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 111.2 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.22 -17.88 59.52 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.306 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -106.22 -20.93 13.25 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.15 13.42 1.94 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.293 -0.956 . . . . 0.0 114.216 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 23.7 t -88.84 143.29 11.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.551 0.676 . . . . 0.0 110.678 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -158.05 -179.34 8.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.946 0.403 . . . . 0.0 111.192 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.83 -144.89 17.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.144 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -148.24 155.23 41.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.374 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.32 115.27 13.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.231 0.538 . . . . 0.0 111.193 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.23 142.14 42.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.403 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.31 144.61 51.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.868 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.18 158.9 35.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.99 129.92 41.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.716 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.23 140.8 31.58 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.009 0.433 . . . . 0.0 111.947 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -138.5 156.57 47.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.57 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -126.32 123.19 37.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.013 0.435 . . . . 0.0 111.325 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -107.54 134.46 50.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.486 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.57 116.35 20.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -90.81 122.58 33.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.327 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.46 156.03 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.959 0.409 . . . . 0.0 111.193 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 64.8 m -150.28 -69.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.932 -179.753 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -88.63 124.53 34.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.592 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.424 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 42.2 m-85 -112.82 132.27 55.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.46 0.648 . . . . 0.0 112.504 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -106.37 128.38 53.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.953 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.33 124.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 34.2 mt -97.02 117.18 41.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.856 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.424 HD13 ' CD1' ' D' ' 26' ' ' PHE . 0.4 OUTLIER -113.98 122.99 48.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 178.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -154.18 107.97 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.39 50.86 0.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.516 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -86.35 78.39 9.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 27.5 p -78.9 135.62 37.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 mt -136.26 138.57 41.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.953 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.19 87.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.44 174.92 1.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.338 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -154.47 -178.94 7.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.004 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 56.1 m -111.91 -68.24 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 3.2 p -113.29 -178.5 3.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 7.2 p -101.33 120.28 40.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.53 163.45 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.37 28.09 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.306 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 t -76.37 62.22 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 121.061 0.457 . . . . 0.0 111.513 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' D' ' 25' ' ' THR . 12.8 t70 -103.27 144.58 31.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.328 0.585 . . . . 0.0 111.607 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.38 -43.52 61.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.317 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.26 -30.65 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 26.6 m -62.04 -36.3 81.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.186 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.424 ' CD1' HD13 ' D' ' 7' ' ' LEU . 36.8 t80 -67.12 -47.89 69.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.663 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.78 -51.24 69.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.924 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -67.13 -48.82 66.94 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.27 -40.67 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -71.84 -45.75 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -62.47 -46.05 90.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.985 0.421 . . . . 0.0 110.764 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.32 -45.74 89.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.295 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.6 t80 -68.11 -46.57 70.55 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.508 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 40.4 m-85 -75.02 -30.97 61.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -30.49 63.38 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.267 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.28 -17.8 59.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.273 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -106.28 -21.06 13.21 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.36 13.37 1.9 Allowed Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.296 -0.954 . . . . 0.0 114.231 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 24.0 t -88.83 143.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 117.587 0.693 . . . . 0.0 110.601 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -158.0 -179.33 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.16 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 -144.98 17.34 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.18 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -148.27 155.27 41.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.41 . . . . 0.0 110.922 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.29 115.45 13.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.46 142.22 42.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.44 144.75 51.39 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.915 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.29 158.75 35.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.9 130.03 41.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.478 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.74 141.3 33.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.111 0.482 . . . . 0.0 112.07 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -138.52 156.67 47.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -126.2 123.48 38.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 111.334 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 30.8 m -107.87 134.22 51.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.473 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.47 116.35 20.47 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -90.81 122.5 33.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.281 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.27 155.55 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 0.0 111.111 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.1 m -149.71 -69.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.03 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.865 -179.838 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.812 0.339 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -88.06 123.41 32.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -108.27 127.89 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.279 0.562 . . . . 0.0 111.823 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.65 125.44 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.688 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.19 127.27 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.575 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.2 mt -93.88 119.05 41.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' B' ' 34' ' ' PHE . 4.5 tp -134.29 115.67 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -150.94 -63.54 0.19 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.97 -74.6 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.696 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.4 tttm 61.64 84.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.832 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 p -80.71 145.38 31.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.012 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.5 mt -85.54 -32.28 22.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.795 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 tptt 59.76 42.42 16.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.951 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.02 -84.62 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.41 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.16 -177.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 m -115.96 97.03 5.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.971 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 m -155.4 -56.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.754 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.9 p 54.79 106.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.52 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.87 -177.74 0.65 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.778 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.81 43.69 1.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.582 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.0 m -91.85 88.06 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.506 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' A' ' 25' ' ' THR . 28.3 t0 -102.5 142.33 33.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.319 0.58 . . . . 0.0 112.022 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.25 -41.2 68.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.133 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.13 -32.74 74.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.78 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 22.3 m -62.9 -35.89 81.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.049 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -65.14 -50.2 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.92 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.18 -50.53 70.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.176 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -67.27 -47.94 69.17 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG22 ' CZ ' ' B' ' 33' ' ' PHE . 64.1 t -62.16 -40.46 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.73 -45.27 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 55.9 tttt -64.62 -45.59 86.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.641 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -64.07 -44.24 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.159 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.408 ' CZ ' HG22 ' B' ' 29' ' ' VAL . 4.7 t80 -67.47 -47.25 70.63 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' B' ' 7' ' ' LEU . 36.8 m-85 -77.32 -32.03 54.97 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -53.76 -30.64 45.36 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.967 178.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.93 -18.47 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.639 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -101.54 -20.4 15.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.798 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.7 16.73 2.98 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.319 -0.943 . . . . 0.0 113.272 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 31.9 t -88.38 143.35 11.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.92 0.36 . . . . 0.0 110.45 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -155.88 -178.95 7.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.988 0.423 . . . . 0.0 111.237 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.23 -144.86 18.26 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.316 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -148.91 156.31 42.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -72.34 122.5 21.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.6 p -114.79 138.61 50.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.593 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -71.46 142.21 50.21 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.641 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.19 159.24 35.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.83 135.16 53.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.75 140.7 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.686 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.85 156.41 48.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.765 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -120.31 146.43 46.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.995 0.426 . . . . 0.0 110.977 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -138.59 129.42 26.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.26 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -81.36 121.2 25.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.411 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -94.78 124.34 38.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.226 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 t -70.82 156.49 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 111.09 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.9 m -149.3 -69.34 0.21 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.011 179.882 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.83 0.347 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -87.97 123.39 32.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.561 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -108.26 127.87 54.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.132 0.491 . . . . 0.0 111.917 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.61 125.43 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.71 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.18 127.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.479 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 35.2 mt -93.96 118.9 40.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.901 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 4.5 tp -134.27 115.26 13.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.979 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -151.6 -63.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.55 57.64 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.264 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -97.85 107.0 19.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.6 m -136.33 135.96 39.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.783 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.3 mt -87.38 -39.27 15.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.076 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -175.18 123.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.19 -58.46 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.474 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 60.41 50.53 5.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 t -91.18 118.55 30.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.0 p 55.31 -170.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.197 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.1 p -91.5 101.38 14.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 60.32 107.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.996 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.59 -60.98 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.907 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.6 m -95.63 88.28 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.849 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' B' ' 25' ' ' THR . 28.1 t0 -102.48 142.26 33.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.345 0.593 . . . . 0.0 111.996 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.19 -41.18 68.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.191 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.15 -32.64 74.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 22.7 m -62.94 -35.85 81.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.034 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -65.14 -50.25 66.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.96 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.29 -50.45 71.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.075 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -67.38 -47.91 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 63.9 t -62.08 -40.51 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.69 -45.51 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.41 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 56.2 tttt -64.54 -45.48 86.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.923 0.392 . . . . 0.0 110.684 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -64.02 -44.28 93.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 4.8 t80 -67.42 -47.34 70.54 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' A' ' 7' ' ' LEU . 36.7 m-85 -77.3 -31.97 55.09 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -53.8 -30.61 45.66 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.985 178.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.02 -18.4 60.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.571 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -101.52 -20.56 15.04 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.74 16.78 2.96 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.344 -0.931 . . . . 0.0 113.28 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.5 t -88.35 143.25 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.934 0.367 . . . . 0.0 110.567 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -155.82 -178.77 7.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.103 0.478 . . . . 0.0 111.224 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.03 -145.0 18.37 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.41 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -148.75 156.17 41.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.9 0.381 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.25 122.47 21.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -114.73 138.61 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.585 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -71.42 142.3 50.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.645 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.26 159.07 35.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.771 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.8 135.2 53.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.727 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.83 140.59 41.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.695 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.71 156.39 48.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.82 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -120.19 146.42 46.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.41 . . . . 0.0 111.061 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 16.6 m -138.56 129.36 26.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.265 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -81.35 121.19 25.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.412 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -94.62 124.33 38.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.234 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 t -70.87 156.53 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 111.093 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 63.1 m -149.32 -69.53 0.21 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.823 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.009 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -88.01 123.42 32.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -108.2 127.78 54.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.162 0.506 . . . . 0.0 111.902 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.62 125.35 50.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.679 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.16 127.38 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.479 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 35.1 mt -93.85 118.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' D' ' 34' ' ' PHE . 4.5 tp -134.24 115.3 13.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.849 0.357 . . . . 0.0 111.012 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -151.68 -61.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.623 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.26 108.04 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.676 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.86 148.63 50.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.834 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.8 p -62.19 177.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt -111.54 35.39 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttt 45.23 39.89 4.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.608 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.3 -48.78 0.11 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.236 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -94.83 79.09 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.7 t -60.74 112.87 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.268 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -116.43 153.44 32.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.667 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 18.5 p -60.68 169.17 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -80.66 127.49 32.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.72 -73.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 m -94.32 87.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.334 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.422 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.0 t0 -102.53 142.38 33.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.338 0.589 . . . . 0.0 111.81 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.33 -41.13 68.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.119 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.65 74.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 22.6 m -62.86 -35.9 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.064 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.12 -50.36 66.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.844 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.18 -50.51 71.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.131 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -67.32 -47.95 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 64.4 t -62.09 -40.48 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.67 -45.46 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . 0.401 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 56.0 tttt -64.55 -45.62 86.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.97 -44.27 93.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.183 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 4.8 t80 -67.4 -47.3 70.7 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.45 ' CE1' ' CD1' ' D' ' 7' ' ' LEU . 37.0 m-85 -77.39 -31.9 54.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -53.76 -30.74 45.76 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.994 178.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.94 -18.45 60.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.605 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -101.47 -20.54 15.07 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.73 16.73 2.97 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.279 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 t -88.26 143.3 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.902 0.351 . . . . 0.0 110.507 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -155.86 -178.8 7.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.065 0.459 . . . . 0.0 111.288 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.09 -145.01 18.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.348 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.74 156.19 42.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.26 122.51 21.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.189 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.6 p -114.77 138.57 50.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.529 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.38 142.24 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.611 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.25 159.26 34.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.05 135.29 53.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.674 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.88 140.71 41.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.796 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.83 156.37 48.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.752 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -120.1 146.5 45.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 111.089 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -138.63 129.37 26.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.208 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -81.35 121.26 25.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.454 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 92.4 m -94.84 124.3 38.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.31 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 t -70.72 156.46 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.92 0.391 . . . . 0.0 111.061 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 62.5 m -149.27 -69.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.825 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.957 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -87.97 123.42 32.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -108.34 127.78 54.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.296 0.57 . . . . 0.0 111.871 -179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.59 125.44 51.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.671 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.15 127.21 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.56 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 35.3 mt -93.85 119.03 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.45 ' CD1' ' CE1' ' C' ' 34' ' ' PHE . 4.5 tp -134.32 115.45 14.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.974 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -151.61 -64.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.725 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.27 -74.82 0.83 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.677 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -97.8 158.96 15.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 2.9 t -165.28 134.84 3.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt 63.48 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -74.52 -173.4 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.9 -143.26 3.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.601 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.88 32.92 20.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -97.97 124.37 42.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 6.3 m -87.44 -43.26 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -82.5 172.86 12.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 60.75 110.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.957 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.47 29.53 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.299 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 8.1 m -93.08 86.95 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.81 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' D' ' 25' ' ' THR . 27.8 t0 -102.59 142.37 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.291 0.567 . . . . 0.0 111.787 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.26 -41.1 68.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.125 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.14 -32.77 74.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.048 0.452 . . . . 0.0 110.91 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 22.6 m -62.82 -35.87 81.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.03 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -65.18 -50.27 66.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.864 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -56.31 -50.4 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.844 -0.617 . . . . 0.0 112.118 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -67.28 -48.1 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 64.5 t -62.11 -40.34 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -69.84 -45.37 77.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 56.5 tttt -64.52 -45.66 86.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.972 0.415 . . . . 0.0 110.569 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.98 -44.28 93.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.162 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 4.8 t80 -67.39 -47.29 70.77 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.451 ' CE1' ' CD1' ' C' ' 7' ' ' LEU . 36.9 m-85 -77.35 -31.94 54.77 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 0.9 OUTLIER -53.85 -30.7 46.69 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.941 178.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.96 -18.34 60.06 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.656 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' D' ' 34' ' ' PHE . 6.9 m-80 -101.62 -20.4 15.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.784 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.63 16.8 2.99 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.299 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 32.4 t -88.43 143.32 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.933 0.367 . . . . 0.0 110.527 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -155.85 -178.85 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.015 0.436 . . . . 0.0 111.334 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.09 -144.91 18.32 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.401 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -148.85 156.22 42.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -72.29 122.53 21.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.6 p -114.78 138.61 50.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -71.42 142.2 50.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.639 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.25 159.23 34.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.9 135.31 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.736 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.96 140.74 42.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.765 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 8.9 m -133.86 156.32 48.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.756 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -120.1 146.4 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -138.54 129.39 26.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.28 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.3 121.23 25.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.507 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.0 m -94.68 124.39 38.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.331 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 t -70.88 156.51 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.387 . . . . 0.0 111.003 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 62.2 m -149.33 -69.38 0.21 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.825 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.974 179.824 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -88.07 123.09 32.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.212 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.2 m-85 -108.87 130.16 55.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.325 0.583 . . . . 0.0 112.143 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -106.57 129.12 54.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 t -142.38 127.4 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.406 HD12 HG21 ' A' ' 6' ' ' ILE . 28.7 mt -95.16 123.57 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.234 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.404 HD12 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp -134.65 112.44 10.81 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -157.51 115.45 3.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.689 0.281 . . . . 0.0 111.114 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.86 94.59 1.45 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.615 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -96.62 95.14 7.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 110.804 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 t -158.8 147.3 18.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.95 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 pp -155.52 39.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -147.06 137.51 23.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.78 178.86 33.53 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.635 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -118.37 141.23 48.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.904 0.383 . . . . 0.0 111.346 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.9 t 43.41 36.24 1.08 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.333 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.0 m -63.57 -67.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.839 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t 46.06 -173.06 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.071 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 60.6 89.4 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.93 63.4 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 111.359 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 m 42.92 84.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.473 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 25' ' ' THR . 36.1 t70 -101.41 144.59 30.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.978 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.74 -43.06 57.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.176 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.68 -28.79 67.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.293 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 89.8 m -62.56 -38.5 90.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.764 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' B' ' 3' ' ' TYR . 16.5 t80 -68.85 -45.27 71.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.673 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 1.5 tt0 -56.21 -55.53 32.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.202 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -67.14 -48.53 67.77 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.29 -42.5 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.74 -45.73 72.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -63.55 -45.73 89.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 110.619 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -63.13 -45.53 91.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.518 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.9 t80 -67.65 -46.41 72.52 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.518 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 36.6 m-85 -75.85 -34.79 60.07 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.17 -32.07 54.46 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.98 0.419 . . . . 0.0 111.119 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -61.62 -17.72 56.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.036 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -105.76 -21.41 13.18 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.47 13.34 1.89 Allowed Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.116 -1.04 . . . . 0.0 114.232 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.69 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.46 0.63 . . . . 0.0 110.907 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -158.46 -177.37 6.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.389 . . . . 0.0 111.271 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.03 -145.15 18.4 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.303 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -147.46 154.69 41.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.951 0.405 . . . . 0.0 111.094 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.415 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 95.2 m95 -73.17 117.94 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.31 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.1 p -110.64 141.66 43.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.348 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.09 143.22 52.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.48 160.26 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -66.38 126.06 27.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 144.84 28.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.867 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -140.01 156.36 46.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.45 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -124.58 119.01 27.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.03 0.443 . . . . 0.0 111.307 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.5 m -104.06 132.56 50.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.18 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.35 114.73 20.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.231 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.4 m -86.88 123.16 31.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.466 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.2 155.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 111.073 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 m -149.49 -69.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.888 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.854 0.359 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.24 123.17 32.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.094 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -109.15 130.22 55.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.29 0.567 . . . . 0.0 112.049 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -106.61 129.38 54.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 14.3 t -142.3 127.26 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 28.8 mt -95.12 123.15 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.314 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.409 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 1.2 mp -134.58 112.41 10.84 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -155.32 111.05 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.13 98.33 0.37 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.423 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -162.18 106.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t -164.43 158.52 18.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mt -122.41 117.8 26.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.645 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -151.42 175.19 12.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.91 -33.69 75.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.154 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -88.15 132.23 34.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.633 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 14.8 m -142.03 95.0 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.8 m -126.17 -66.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.6 t -140.21 170.48 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -87.23 160.82 18.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.37 -73.69 0.68 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.001 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 m -89.35 81.09 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.099 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' B' ' 25' ' ' THR . 36.2 t70 -102.14 144.9 30.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.218 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.31 -43.01 53.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.233 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.77 -28.87 67.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.352 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 91.2 m -62.37 -38.78 90.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.796 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 16.8 t80 -68.62 -45.23 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.7 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 1.5 tt0 -56.31 -55.28 35.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.217 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.3 -48.5 67.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.32 -42.67 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -70.59 -45.95 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -63.37 -45.63 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.684 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.21 -45.54 91.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.224 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.515 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 5.0 t80 -67.63 -46.38 72.65 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.515 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 36.7 m-85 -75.83 -34.84 60.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -31.96 53.99 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.96 0.409 . . . . 0.0 111.185 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -61.79 -17.62 56.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.053 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -105.72 -21.35 13.2 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.4 13.38 1.89 Allowed Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.063 -1.065 . . . . 0.0 114.246 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 t -89.82 143.37 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 117.437 0.619 . . . . 0.0 110.886 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -158.47 -177.04 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 111.25 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.75 -145.17 18.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.44 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -147.33 154.77 41.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.409 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 95.0 m95 -73.45 118.04 15.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.351 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 64.6 p -110.74 141.74 43.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.264 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.16 143.4 52.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.72 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.69 160.09 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.012 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -66.35 126.08 27.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.3 145.22 27.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.918 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 22.3 m -140.18 156.46 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.523 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -124.61 119.07 27.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.033 0.444 . . . . 0.0 111.339 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 31.7 m -104.01 132.46 50.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.169 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -81.25 114.76 20.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.224 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.0 m -86.83 123.01 31.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.43 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.2 155.63 7.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.882 0.373 . . . . 0.0 111.106 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 m -149.34 -69.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.004 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.23 123.19 32.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.183 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.1 m-85 -108.99 130.23 55.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.366 0.603 . . . . 0.0 112.029 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -106.57 129.02 54.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 14.3 t -142.25 127.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 mt -95.06 123.4 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.303 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.405 HD12 ' CZ ' ' D' ' 34' ' ' PHE . 1.2 mp -134.54 112.54 10.96 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -156.29 113.01 3.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.821 0.344 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.97 -40.1 92.82 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.904 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 83.5 tttt 57.75 60.26 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.937 0.399 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 77.1 p -120.13 124.88 46.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -164.96 49.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -159.53 112.09 2.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 -136.01 15.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.555 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -90.27 179.0 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 8.0 t -81.81 88.38 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.206 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 47.5 p -137.8 166.42 24.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 27.6 p 53.73 91.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.327 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.12 137.58 0.93 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.731 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.69 -50.87 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 111.395 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -85.64 80.99 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.295 0.569 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' C' ' 25' ' ' THR . 35.9 t70 -102.13 144.88 30.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.165 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.97 52.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.249 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.85 67.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.345 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 86.5 m -62.49 -38.72 90.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 16.5 t80 -68.66 -45.35 71.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.637 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.407 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 1.5 tt0 -56.11 -55.47 32.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.233 -179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.37 -48.38 67.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 56.9 t -63.22 -42.7 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.7 -45.73 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -63.47 -45.66 89.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 0.0 110.682 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -63.16 -45.66 90.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.507 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.9 t80 -67.59 -46.31 72.99 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.507 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 36.5 m-85 -75.84 -34.77 60.1 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -32.05 54.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.944 0.402 . . . . 0.0 111.162 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -61.76 -17.64 56.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.059 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -105.7 -21.69 13.13 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.72 13.25 1.85 Allowed Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.113 -1.041 . . . . 0.0 114.215 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.55 143.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 117.496 0.648 . . . . 0.0 110.95 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -158.43 -177.42 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.11 -145.14 18.37 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.303 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -147.28 154.86 41.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.4 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . 0.407 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 95.0 m95 -73.37 117.96 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 63.3 p -110.66 141.58 43.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.333 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.11 143.41 52.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.826 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.82 160.07 33.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.014 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.32 126.02 27.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 145.05 27.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.96 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 19.8 m -140.15 156.47 46.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.392 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -124.61 119.06 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.079 0.466 . . . . 0.0 111.376 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 31.5 m -104.12 132.55 50.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.169 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -81.26 114.76 20.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.194 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -86.87 123.08 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.483 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.08 155.69 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.1 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 68.1 m -149.46 -69.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.929 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.896 0.379 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.37 123.17 32.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.299 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.427 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.3 m-85 -109.06 130.08 55.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.349 0.595 . . . . 0.0 112.034 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -106.53 129.2 54.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.817 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 13.8 t -142.31 127.23 16.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.185 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.406 HD12 HG21 ' D' ' 6' ' ' ILE . 28.8 mt -95.14 123.51 47.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.349 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -134.63 112.63 10.98 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -157.74 121.54 4.12 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.784 0.326 . . . . 0.0 111.596 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.58 123.36 28.88 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.318 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -83.73 157.66 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 10.4 m -82.12 114.07 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 mt -103.77 -66.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -165.08 122.18 1.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.678 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.36 40.27 11.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.339 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 60.95 155.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 111.177 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -103.59 166.86 10.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -160.38 -52.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.05 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -135.73 -177.02 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 60.01 171.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.19 68.44 0.83 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.08 0.467 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 m 43.28 84.23 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.36 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' D' ' 25' ' ' THR . 35.7 t70 -101.43 144.41 30.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.872 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.66 -43.1 57.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.22 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.66 -28.82 68.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.344 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 87.2 m -62.52 -38.48 90.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.787 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' C' ' 3' ' ' TYR . 16.8 t80 -68.81 -45.21 71.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.705 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . 0.418 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 1.5 tt0 -56.38 -55.39 34.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.234 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -67.11 -48.58 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.3 -42.45 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 60.3 t -70.75 -45.84 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 32.6 tttt -63.33 -45.75 89.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.961 0.41 . . . . 0.0 110.642 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -63.12 -45.78 90.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.114 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.511 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 5.0 t80 -67.52 -46.31 73.2 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.511 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 36.6 m-85 -75.86 -34.91 60.05 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -31.94 53.93 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.042 0.449 . . . . 0.0 111.193 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -61.74 -17.64 56.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.051 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -105.79 -21.43 13.17 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.43 13.37 1.89 Allowed Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.042 -1.075 . . . . 0.0 114.187 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 23.5 t -89.88 143.35 11.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 117.52 0.66 . . . . 0.0 110.824 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -158.33 -177.37 6.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.895 0.378 . . . . 0.0 111.246 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.07 -145.2 18.39 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.374 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -147.39 154.62 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.384 . . . . 0.0 111.031 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . 0.418 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 95.2 m95 -73.18 118.11 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.353 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -110.79 141.64 43.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.317 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.13 143.21 52.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.51 160.39 32.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.066 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.56 125.98 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.752 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.05 144.72 27.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.061 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 19.4 m -139.89 156.32 46.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.368 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -124.62 118.88 27.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.047 0.451 . . . . 0.0 111.363 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 31.8 m -103.96 132.68 49.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.12 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -81.34 114.76 20.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.185 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 90.5 m -86.83 123.07 31.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.44 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.28 155.75 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 111.113 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.6 m -149.51 -69.38 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.931 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.799 0.333 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.87 122.59 33.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 38.3 m-85 -108.24 133.45 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.303 0.573 . . . . 0.0 112.18 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -106.56 131.47 53.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.805 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.0 t -142.54 127.4 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -99.93 118.1 46.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.512 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp -120.36 120.49 36.14 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -156.06 118.42 4.09 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.795 0.331 . . . . 0.0 111.807 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.02 -52.07 50.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.353 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttp 60.08 175.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.992 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.9 p -60.79 127.85 33.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.045 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 tp -142.11 111.15 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 144.12 37.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.77 -175.53 22.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.432 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -148.74 40.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -143.17 128.88 19.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.0 p 55.55 170.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.308 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.0 p -142.8 32.55 1.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -102.21 121.91 43.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.742 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -167.05 70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.314 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 m 44.29 77.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.275 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -101.36 147.56 26.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.801 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.8 -43.38 65.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.236 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.6 -30.94 70.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.08 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.9 m -63.03 -39.18 93.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.468 ' CD2' ' CD1' ' B' ' 3' ' ' TYR . 19.0 t80 -66.17 -46.1 78.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.849 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.05 -53.92 51.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.123 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -67.82 -49.06 64.33 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.08 -44.84 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.421 HG23 ' CD2' ' A' ' 26' ' ' PHE . 56.8 t -69.34 -46.78 76.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -63.43 -45.28 91.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.911 0.386 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -64.73 -42.66 95.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.739 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -67.89 -47.6 68.37 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 30.3 m-85 -77.32 -32.83 55.55 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -29.08 38.31 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.928 0.394 . . . . 0.0 111.189 178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.21 -17.09 51.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.875 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -104.16 -14.93 15.68 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.26 17.25 3.02 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.557 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.9 143.66 10.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 117.129 0.464 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -155.66 -178.98 7.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.016 0.436 . . . . 0.0 111.077 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.52 -143.42 18.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -150.78 157.93 43.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.022 0.439 . . . . 0.0 111.237 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -73.03 121.87 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.393 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.8 p -113.23 140.1 48.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.726 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.79 146.14 49.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.611 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.22 157.44 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 110.813 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.62 132.36 48.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.27 141.7 40.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.464 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.0 m -138.71 156.7 47.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.552 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -115.14 148.01 39.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.001 0.429 . . . . 0.0 111.18 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -141.49 128.69 20.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.939 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -81.42 117.97 22.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.489 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -95.5 126.15 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.255 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.37 155.34 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.915 0.388 . . . . 0.0 111.224 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.9 m -143.08 -75.79 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.357 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.955 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.904 0.383 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.72 122.41 32.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.468 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 38.1 m-85 -108.17 133.39 52.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.327 0.584 . . . . 0.0 112.267 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -106.41 131.49 53.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.827 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.58 127.2 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 mt -99.51 117.87 45.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 111.515 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.419 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp -120.09 120.41 36.16 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -155.27 110.91 3.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 111.088 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.31 91.06 0.96 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -173.96 102.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 0.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.7 t -158.02 133.7 9.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mt 62.85 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.053 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -164.24 81.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.97 67.53 0.22 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.365 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.43 91.9 8.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.721 0.296 . . . . 0.0 111.166 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t 44.19 39.54 2.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.011 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -92.89 -51.81 4.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 46.1 p -143.7 -65.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.099 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 59.84 174.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -173.63 -66.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.224 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 m -80.31 70.77 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.432 0.634 . . . . 0.0 110.859 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -102.04 148.07 25.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.874 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.66 -42.94 65.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.197 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.99 -30.94 70.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 74.9 m -63.12 -38.91 93.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.472 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 19.1 t80 -66.22 -46.11 78.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.824 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.11 -54.0 50.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.113 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -67.76 -49.11 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.1 -44.65 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.412 HG23 ' CD2' ' B' ' 26' ' ' PHE . 56.1 t -69.5 -46.59 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -63.48 -45.43 90.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 110.798 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.66 -42.6 95.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.736 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -68.03 -47.41 68.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.416 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 30.5 m-85 -77.48 -32.49 54.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -29.1 41.55 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.191 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -61.37 -17.05 52.15 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.829 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -104.28 -14.7 15.7 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.94 17.47 3.07 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.487 -0.863 . . . . 0.0 113.597 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.12 143.68 10.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.153 0.476 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.72 -178.78 7.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.28 -143.68 18.06 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.505 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -150.58 157.88 43.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.402 . . . . 0.0 111.211 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -72.9 121.94 20.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.351 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 45.8 p -113.23 140.05 48.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.739 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.84 146.32 49.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.585 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.3 157.4 37.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.68 132.44 48.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 141.71 41.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.66 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -138.66 156.64 47.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.568 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -114.97 148.01 39.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.075 0.464 . . . . 0.0 111.169 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.59 128.73 20.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -81.47 118.44 22.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.48 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 89.3 m -96.04 126.01 40.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.155 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.11 155.31 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.355 . . . . 0.0 111.269 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 56.4 m -143.0 -76.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.393 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.945 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.739 0.304 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -89.74 122.53 32.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.745 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.471 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 37.9 m-85 -108.26 133.32 52.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.289 0.566 . . . . 0.0 112.206 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -106.45 131.6 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.82 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.8 t -142.58 127.33 16.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.007 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.68 118.34 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.471 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp -120.56 120.53 36.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -156.91 113.32 3.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.989 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.73 109.85 2.9 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.642 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -134.82 150.31 50.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 110.832 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -129.53 154.33 47.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.19 41.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.186 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.32 175.74 11.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.31 98.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -71.21 145.19 49.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.726 0.298 . . . . 0.0 110.715 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 2.3 m -115.65 -40.55 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 20.7 p 54.03 -171.92 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.494 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 1.5 t -131.92 144.9 51.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.061 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 60.87 113.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.2 79.62 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.27 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 m 44.65 76.45 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.261 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -101.53 147.68 26.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.673 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.83 -43.33 65.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.263 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.61 -30.95 70.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 73.7 m -63.04 -39.07 93.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.742 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.469 ' CD2' ' CD1' ' D' ' 3' ' ' TYR . 18.8 t80 -66.2 -45.99 78.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.859 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.2 -53.85 52.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.154 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -67.85 -48.88 64.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.29 -44.69 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . 0.418 HG23 ' CD2' ' C' ' 26' ' ' PHE . 53.1 t -69.48 -46.48 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -63.76 -45.21 90.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.903 0.382 . . . . 0.0 110.683 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.781 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -67.82 -47.53 68.81 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.42 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 30.3 m-85 -77.4 -32.59 54.91 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.94 -29.15 41.16 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.872 0.368 . . . . 0.0 111.119 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -61.34 -17.08 52.15 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.932 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -104.2 -14.77 15.72 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.06 17.41 3.05 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.459 -0.877 . . . . 0.0 113.585 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.01 143.55 10.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 117.121 0.461 . . . . 0.0 111.015 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.46 -179.02 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 0.0 111.201 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.53 -143.55 18.07 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -150.5 158.11 43.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 111.361 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -73.23 122.04 21.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.353 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 47.4 p -113.59 140.17 48.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.76 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.75 146.25 49.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.693 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.27 157.48 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.68 132.21 47.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.05 141.7 39.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.497 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -138.66 156.59 47.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.703 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -115.13 147.63 40.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.016 0.436 . . . . 0.0 111.189 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.47 128.71 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.985 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -81.34 118.19 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.512 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -95.69 126.08 40.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.313 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.32 155.35 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.225 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 56.4 m -142.96 -75.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.358 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.948 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.856 0.36 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -89.82 122.61 33.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.674 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.469 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 38.3 m-85 -108.24 133.41 52.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.242 0.544 . . . . 0.0 112.232 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -106.55 131.38 53.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.865 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.53 127.16 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.52 118.19 45.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.518 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.42 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.1 mp -120.27 120.43 36.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.048 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -155.0 109.27 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.15 111.96 4.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.737 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -102.24 119.25 38.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.765 0.317 . . . . 0.0 110.71 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 16.0 m -111.68 81.7 1.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 mt -86.52 175.81 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.749 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -96.33 94.71 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.01 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.16 -144.63 4.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.392 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -142.03 160.84 39.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 15.0 t 44.58 38.16 2.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.937 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 12.7 m -60.18 -56.96 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 7.7 p 58.3 110.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.45 146.43 10.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.18 25.77 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.658 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 m -90.88 73.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.325 0.583 . . . . 0.0 111.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -102.66 148.18 25.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.966 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.72 -43.05 65.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -30.96 70.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 74.8 m -63.07 -38.89 92.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.686 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.471 ' CD2' ' CD1' ' C' ' 3' ' ' TYR . 19.1 t80 -66.33 -46.11 77.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.8 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.96 -54.04 49.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.165 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -67.89 -48.99 64.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.04 -44.75 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . 0.414 HG23 ' CD2' ' D' ' 26' ' ' PHE . 54.2 t -69.46 -46.69 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -63.43 -45.34 91.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.768 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.78 -42.65 94.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.723 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -67.78 -47.56 68.83 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.416 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 30.2 m-85 -77.45 -32.86 54.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -29.23 38.05 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.938 0.399 . . . . 0.0 111.142 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.31 -16.96 51.19 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.927 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -104.2 -14.91 15.67 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.01 17.6 3.03 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.491 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.27 143.69 10.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 117.207 0.503 . . . . 0.0 110.968 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.6 -178.71 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.189 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.27 -143.49 18.0 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.539 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -150.79 157.99 43.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.403 . . . . 0.0 111.201 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -72.92 121.68 20.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -113.04 140.11 48.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.756 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.92 146.27 49.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.574 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.28 157.44 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.71 132.47 48.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.43 141.82 40.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.525 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 27.5 m -138.5 156.64 47.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.572 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -115.01 147.87 39.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 0.0 111.174 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 16.6 m -141.53 128.77 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -81.61 118.4 22.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.402 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -95.91 126.13 40.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.191 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.26 155.44 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.218 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 57.6 m -143.18 -76.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.279 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.912 -179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.912 0.386 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -89.99 124.25 34.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.713 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.413 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 38.8 m-85 -109.2 128.71 55.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.377 0.608 . . . . 0.0 111.776 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -106.53 128.07 53.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 t -142.35 124.35 13.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 mt -96.61 117.28 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.4 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.439 ' CD1' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -106.94 124.93 50.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.189 179.045 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -148.35 89.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.151 0.5 . . . . 0.0 111.427 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.17 59.6 1.66 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.04 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -160.15 97.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.044 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -158.55 93.45 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.725 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt 66.14 87.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -160.78 101.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.766 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.64 -35.31 85.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.676 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -77.78 174.63 10.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -122.55 88.96 3.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.654 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.2 p -98.04 -176.38 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.245 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 p -74.34 -27.06 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.224 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 64.56 133.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.912 0.387 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.87 -72.13 0.4 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.5 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.6 t -70.14 63.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.169 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.0 t70 -102.42 144.86 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.388 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.54 -44.55 56.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.428 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.81 -31.81 72.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.214 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 18.6 m -63.62 -40.76 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.738 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CD1' ' CD1' ' A' ' 7' ' ' LEU . 31.8 t80 -64.87 -46.93 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.806 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -57.56 -48.64 78.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.604 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -67.87 -45.44 74.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 63.5 t -63.14 -42.32 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.9 t -70.28 -44.86 77.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -63.96 -46.19 85.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 110.766 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -65.2 -42.49 93.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.487 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.436 ' CE2' ' CE2' ' A' ' 34' ' ' PHE . 4.7 t80 -67.74 -48.1 67.4 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 34.6 m-85 -77.2 -30.6 54.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.87 -30.23 57.33 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.955 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -62.02 -18.39 60.4 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.635 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -101.82 -19.16 15.43 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.702 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 16.34 3.04 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.191 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.57 143.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.911 0.356 . . . . 0.0 110.559 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -153.09 -175.99 5.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 111.213 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.97 -145.09 18.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.435 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -151.07 158.37 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -72.78 118.78 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.234 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.5 p -112.75 139.54 48.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.537 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -70.81 143.61 51.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.2 157.96 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.21 132.52 48.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.721 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.82 140.56 36.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.927 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -136.22 156.43 48.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.679 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -126.17 122.83 36.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.937 0.399 . . . . 0.0 111.391 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.8 m -108.43 132.95 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.305 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -80.25 118.17 21.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.69 0.281 . . . . 0.0 111.344 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.1 m -92.12 119.44 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.273 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.91 155.81 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 111.049 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.0 m -147.32 -84.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.118 179.839 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.023 0.439 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -90.2 124.24 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.415 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 38.9 m-85 -108.96 128.69 55.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.353 0.597 . . . . 0.0 111.905 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -106.56 128.02 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -142.41 124.28 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.403 HD12 HG21 ' B' ' 6' ' ' ILE . 21.9 mt -96.66 117.35 40.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.569 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.439 ' CD1' ' CD1' ' B' ' 26' ' ' PHE . 0.3 OUTLIER -106.84 125.17 50.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.244 179.217 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -149.53 102.63 3.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.055 0.455 . . . . 0.0 111.711 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.54 69.55 0.4 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.608 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mttp 60.0 172.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -77.71 147.07 35.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 59.47 -179.3 0.09 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.745 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -88.52 171.3 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.89 49.49 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.364 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -113.41 64.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.1 t -70.71 143.36 51.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.999 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 54.49 -84.67 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.591 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -71.48 176.64 4.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.918 0.389 . . . . 0.0 111.331 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -113.73 174.21 6.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.618 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.15 56.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 111.221 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 t 52.75 68.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.111 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.408 ' O ' ' HB ' ' B' ' 25' ' ' THR . 13.0 t70 -102.39 144.17 31.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.355 0.598 . . . . 0.0 112.055 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.64 -44.89 57.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.56 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.87 72.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.87 0.367 . . . . 0.0 111.244 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 18.4 m -63.62 -40.82 97.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.637 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CD1' ' CD1' ' B' ' 7' ' ' LEU . 31.8 t80 -64.77 -46.9 80.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.52 -48.77 78.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.658 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -67.72 -45.55 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 63.0 t -63.05 -42.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.22 -44.88 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 11.9 tmtt? -63.93 -46.1 86.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.003 0.43 . . . . 0.0 110.798 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.2 -42.61 93.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.474 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.428 ' CE2' ' CE2' ' B' ' 34' ' ' PHE . 4.7 t80 -67.63 -48.23 67.35 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.428 ' CE2' ' CE2' ' B' ' 33' ' ' PHE . 34.6 m-85 -77.1 -30.75 55.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -54.84 -30.28 57.21 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.975 178.597 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -61.93 -18.41 60.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.739 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -101.82 -19.35 15.36 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.04 16.25 2.97 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.23 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.56 143.03 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.873 0.336 . . . . 0.0 110.524 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -153.13 -176.16 5.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.93 0.395 . . . . 0.0 111.203 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.12 -145.16 18.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.38 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -151.04 158.54 44.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -72.93 118.7 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.082 0.467 . . . . 0.0 111.219 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 61.6 p -112.75 139.67 48.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.416 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.88 143.58 50.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.87 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.22 157.91 36.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.752 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -66.16 132.57 48.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.752 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.91 140.75 36.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.962 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -136.83 156.57 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.487 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -126.0 123.44 38.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 0.0 111.338 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -108.81 132.97 53.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.257 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -80.43 118.24 21.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.314 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 88.7 m -92.17 119.4 31.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.366 179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.78 155.77 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 89.6 m -147.32 -84.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.139 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -90.04 124.3 34.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.672 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 39.0 m-85 -109.21 128.81 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.398 0.618 . . . . 0.0 111.821 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -106.57 128.03 53.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.971 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 t -142.36 124.46 13.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.421 HD12 HG21 ' C' ' 6' ' ' ILE . 21.8 mt -96.71 117.24 40.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.505 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.435 ' CD1' ' CD1' ' C' ' 26' ' ' PHE . 0.3 OUTLIER -107.07 125.04 50.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.083 179.184 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -148.95 102.14 3.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.99 0.424 . . . . 0.0 112.015 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.25 -40.87 7.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.98 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -65.77 91.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.724 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.58 85.68 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 61.34 175.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.239 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -101.05 62.64 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.027 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.82 -54.62 2.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -172.37 133.75 0.66 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.37 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 5.0 m -134.24 -55.37 0.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.713 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m 68.56 -66.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.242 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -151.74 -48.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.843 0.354 . . . . 0.0 110.95 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -135.18 141.01 45.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.77 76.26 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.777 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t 53.06 69.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.174 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.1 t70 -102.28 144.24 31.05 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.413 0.625 . . . . 0.0 112.039 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.95 59.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.578 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 -31.96 73.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 111.224 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 18.1 m -63.77 -40.63 97.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.711 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.435 ' CD1' ' CD1' ' C' ' 7' ' ' LEU . 31.8 t80 -64.78 -46.84 80.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.55 -48.62 78.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.684 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -67.74 -45.53 74.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 63.0 t -63.12 -42.41 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.3 t -70.24 -44.99 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 12.0 tmtt? -63.79 -46.13 86.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.999 0.428 . . . . 0.0 110.781 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -65.24 -42.58 93.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.541 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.437 ' CE2' ' CE2' ' C' ' 34' ' ' PHE . 4.7 t80 -67.57 -48.35 67.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.437 ' CE2' ' CE2' ' C' ' 33' ' ' PHE . 34.5 m-85 -76.94 -30.67 56.17 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -54.87 -30.25 57.48 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.962 178.601 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -61.96 -18.43 60.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.728 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -101.7 -19.3 15.45 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.748 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.86 16.42 2.99 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.286 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -88.67 143.06 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.912 0.356 . . . . 0.0 110.51 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -153.09 -176.31 5.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 111.278 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.21 -145.08 18.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -151.14 158.57 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 111.005 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -72.97 118.7 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.286 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 60.5 p -112.79 139.65 48.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.525 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.83 143.57 51.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.872 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.23 157.9 36.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -66.29 132.67 48.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.799 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 140.64 36.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.009 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 20.3 m -136.41 156.51 48.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.623 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -126.28 122.74 36.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.051 0.453 . . . . 0.0 111.288 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 23.1 m -108.23 132.9 53.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.174 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -80.3 117.76 21.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.803 0.335 . . . . 0.0 111.331 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -91.64 119.38 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.387 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.87 155.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.041 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 89.5 m -147.37 -84.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.026 179.814 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.797 0.332 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -90.01 124.21 34.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.736 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 39.0 m-85 -109.05 128.78 55.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.285 0.565 . . . . 0.0 111.864 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -106.66 127.99 53.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 t -142.35 124.07 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 mt -96.4 117.14 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.479 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.426 ' CD1' ' CD1' ' D' ' 26' ' ' PHE . 0.3 OUTLIER -104.87 123.5 47.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -158.29 -45.62 0.06 Allowed 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.391 0.615 . . . . 0.0 110.182 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.16 58.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.459 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.14 150.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 23.0 m -71.75 132.12 44.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.224 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 15.0 mt 60.28 168.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.291 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -73.31 116.21 13.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.668 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.93 70.33 0.51 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.837 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 61.37 117.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 111.165 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -87.83 121.48 30.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -136.06 -66.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.746 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -142.16 -78.29 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 61.62 119.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.24 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.68 16.89 21.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.827 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 t -75.8 62.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.945 0.402 . . . . 0.0 111.343 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -102.44 144.97 30.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.304 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.51 -44.68 56.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.476 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -32.02 73.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.205 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 18.3 m -63.64 -40.6 97.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.789 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.426 ' CD1' ' CD1' ' D' ' 7' ' ' LEU . 32.0 t80 -64.89 -46.89 79.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.833 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . 0.403 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 45.7 mt-10 -57.52 -48.64 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.695 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -67.85 -45.48 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . 0.427 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 62.3 t -63.0 -42.4 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -70.35 -44.83 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.387 . . . . 0.0 112.029 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -63.97 -46.19 85.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.942 0.401 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -65.1 -42.54 93.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.549 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.437 ' CE2' ' CE2' ' D' ' 34' ' ' PHE . 4.7 t80 -67.86 -48.16 66.91 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.437 ' CE2' ' CE2' ' D' ' 33' ' ' PHE . 34.5 m-85 -77.06 -30.55 55.61 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -30.24 59.12 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.951 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -61.93 -18.49 60.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.691 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' D' ' 34' ' ' PHE . 6.0 m-80 -101.73 -19.34 15.42 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.93 16.29 3.0 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.265 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 38.3 t -88.48 143.11 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.922 0.361 . . . . 0.0 110.593 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -153.28 -176.18 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.986 0.422 . . . . 0.0 111.173 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.1 -145.0 18.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.384 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -151.1 158.54 44.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 111.001 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 83.8 m95 -72.85 118.66 16.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.057 0.456 . . . . 0.0 111.255 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 62.3 p -112.71 139.64 48.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.432 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.78 143.62 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.85 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 157.86 36.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.22 132.72 49.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.587 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.81 140.47 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.112 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 19.5 m -135.77 156.29 49.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.651 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -125.97 122.68 36.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.962 0.411 . . . . 0.0 111.19 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -108.46 132.84 53.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.247 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -80.27 117.92 21.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.771 0.32 . . . . 0.0 111.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 90.8 m -91.73 119.4 31.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.396 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.88 155.99 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.729 0.3 . . . . 0.0 110.995 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -147.52 -84.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.076 179.845 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.74 0.305 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -90.69 126.69 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.472 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.468 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 37.7 m-85 -109.3 126.25 53.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.377 0.608 . . . . 0.0 112.254 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -106.48 122.18 45.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.482 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.16 128.86 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 111.772 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -92.69 119.73 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.014 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.444 HD13 ' CE1' ' B' ' 34' ' ' PHE . 3.9 tp -134.31 112.51 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -151.61 -57.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.08 44.94 0.6 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.488 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -169.65 69.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.956 0.408 . . . . 0.0 110.778 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 p -161.04 38.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp -162.44 -43.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -150.4 158.35 44.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.21 -33.89 16.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.551 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.9 93.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -101.72 111.74 24.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -141.92 -49.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 t -86.73 83.93 7.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.44 126.34 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.91 -68.88 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.516 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.4 m -74.97 70.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.194 0.521 . . . . 0.0 111.463 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.417 ' O ' ' HB ' ' A' ' 25' ' ' THR . 20.0 t70 -102.53 144.03 31.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.108 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.97 -43.47 66.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.206 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.84 -32.63 74.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.773 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 39.3 m -63.52 -37.87 88.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.243 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' B' ' 3' ' ' TYR . 30.4 t80 -64.11 -50.36 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.915 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -56.87 -49.25 76.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.805 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.38 -50.81 62.23 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.413 0.524 . . . . 0.0 112.413 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 66.1 t -64.27 -43.56 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -69.84 -45.6 76.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.153 -178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 74.5 tttt -64.88 -45.36 86.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.047 0.451 . . . . 0.0 110.635 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.92 -42.74 94.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.589 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 5.3 t80 -67.36 -47.27 70.91 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.438 ' CE1' HD13 ' B' ' 7' ' ' LEU . 30.3 m-85 -77.48 -29.97 52.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -55.0 -29.4 57.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.123 0.487 . . . . 0.0 110.919 179.318 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -60.72 -17.9 51.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.846 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 34' ' ' PHE . 13.2 p30 -103.56 -17.8 15.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.49 15.8 2.39 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.201 -1.0 . . . . 0.0 113.612 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -89.44 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.029 0.414 . . . . 0.0 111.014 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -156.7 -179.47 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.92 -144.54 17.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.248 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -148.84 156.23 42.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -73.04 118.54 16.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.5 p -110.98 140.52 45.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.423 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.74 143.01 51.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.722 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.85 158.67 35.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.15 130.35 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.709 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.79 142.77 33.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.874 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.1 m -137.57 156.36 48.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.367 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -125.1 120.54 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.007 0.432 . . . . 0.0 111.382 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -106.62 132.94 52.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.298 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.9 118.49 22.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.367 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -92.93 123.1 35.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.448 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.32 155.79 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.923 0.392 . . . . 0.0 111.158 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -148.97 -69.03 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.921 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.738 0.304 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.68 126.61 36.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.562 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.462 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 37.6 m-85 -109.29 126.23 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.364 0.602 . . . . 0.0 112.246 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.49 122.15 45.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.42 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.18 128.88 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.032 0.444 . . . . 0.0 111.742 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.1 mt -92.69 119.87 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.995 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 34' ' ' PHE . 3.9 tp -134.31 112.42 11.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -152.6 -61.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 0.0 110.693 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.43 -84.47 0.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.64 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.1 -173.95 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.676 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.7 t -164.3 37.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -112.67 -36.27 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.09 39.13 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.95 -62.38 4.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -90.35 173.83 7.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 33.3 m -73.07 80.54 1.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.791 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.401 ' O ' ' N ' ' B' ' 19' ' ' GLU . 3.0 m -135.04 -57.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 62.7 p 55.79 -84.48 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.392 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 17' ' ' THR . 54.2 mt-10 -59.44 118.36 5.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 111.024 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.406 ' O ' HG23 ' B' ' 21' ' ' VAL . . . -169.18 77.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.246 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 20' ' ' ALA . 5.3 m 43.01 77.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.967 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' B' ' 25' ' ' THR . 19.7 t70 -102.23 143.55 31.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.338 0.59 . . . . 0.0 111.903 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.63 67.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.211 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.59 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.766 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 39.1 m -63.54 -37.8 88.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.215 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.468 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 30.6 t80 -64.27 -50.37 68.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.876 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -56.8 -49.23 75.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.83 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.4 -50.77 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 66.2 t -64.32 -43.6 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' B' ' 26' ' ' PHE . 58.5 t -69.79 -45.62 76.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.173 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.434 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 74.4 tttt -64.94 -45.29 86.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 0.0 110.615 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.99 -42.67 94.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.609 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 5.4 t80 -67.44 -47.24 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.444 ' CE1' HD13 ' A' ' 7' ' ' LEU . 30.6 m-85 -77.56 -29.91 52.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 1.0 OUTLIER -54.98 -29.36 56.82 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.071 0.462 . . . . 0.0 110.899 179.266 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -60.78 -17.9 51.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.837 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.402 ' ND2' ' O ' ' B' ' 34' ' ' PHE . 13.1 p30 -103.57 -17.81 15.02 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.48 15.71 2.41 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.531 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 22.4 t -89.33 143.09 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 117.168 0.484 . . . . 0.0 111.015 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -156.76 -179.73 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.251 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.26 -144.43 17.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.28 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -148.95 156.2 41.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -72.99 118.53 16.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -110.92 140.4 45.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.444 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.62 142.87 51.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.76 158.72 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.08 130.09 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.31 142.43 31.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.714 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 26.7 m -137.41 156.29 48.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.356 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -125.14 120.57 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 111.397 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.64 133.07 51.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.347 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -81.1 118.5 22.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 90.0 m -92.88 123.23 35.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.41 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.41 155.89 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.97 0.414 . . . . 0.0 111.155 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.6 m -149.06 -69.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.004 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.71 126.65 36.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.471 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 37.7 m-85 -109.25 126.25 53.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.364 0.602 . . . . 0.0 112.225 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.54 122.08 45.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.404 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.11 128.87 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.713 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.2 mt -92.77 119.94 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.997 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.458 HD13 ' CE1' ' D' ' 34' ' ' PHE . 3.9 tp -134.31 112.39 10.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -152.63 -66.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.028 0.442 . . . . 0.0 110.916 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.39 53.96 0.91 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.568 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt 59.67 178.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 22.7 m -118.62 83.3 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.69 -32.98 73.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 pttm 44.67 33.99 1.06 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.588 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.43 -134.58 1.67 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.548 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -85.06 124.17 31.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.33 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -91.51 163.29 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.95 -55.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 1.5 p -126.83 123.97 38.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.54 164.43 33.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.37 -61.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -74.87 72.23 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.014 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' C' ' 25' ' ' THR . 20.0 t70 -102.43 144.01 31.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.243 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.95 -43.57 66.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.205 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.57 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.838 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 40.0 m -63.56 -37.81 88.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.216 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.466 ' CD2' ' CD1' ' D' ' 3' ' ' TYR . 30.4 t80 -64.23 -50.32 68.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.878 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -56.86 -49.39 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.769 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.24 -50.87 62.3 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 66.9 t -64.25 -43.64 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.75 -45.71 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.19 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . 0.437 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 74.4 tttt -64.75 -45.43 86.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.065 0.46 . . . . 0.0 110.692 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.95 -42.62 94.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.677 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 5.3 t80 -67.37 -47.26 70.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' D' ' 7' ' ' LEU . 30.6 m-85 -77.47 -30.05 52.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 1.0 OUTLIER -54.94 -29.43 56.49 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.073 0.463 . . . . 0.0 110.865 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -60.79 -17.75 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.87 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' C' ' 34' ' ' PHE . 13.0 p30 -103.59 -17.86 14.99 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.46 15.84 2.39 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.196 -1.002 . . . . 0.0 113.545 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 22.5 t -89.44 143.16 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 117.073 0.437 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -156.77 -179.58 8.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.993 0.425 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.12 -144.48 17.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.254 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.84 156.25 42.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -73.0 118.45 15.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 81.9 p -110.88 140.56 45.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.343 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.7 142.99 51.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.724 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.95 158.77 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.936 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.22 130.41 43.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.74 142.63 33.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.779 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 26.4 m -137.4 156.31 48.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.387 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -125.11 120.5 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.396 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 24.3 m -106.52 133.02 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.315 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -80.88 118.49 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.356 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -92.96 123.17 36.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.482 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.32 155.84 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.142 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 54.5 m -149.06 -69.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.92 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.792 0.33 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.61 126.62 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.515 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.466 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 37.5 m-85 -109.32 126.28 53.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.37 0.605 . . . . 0.0 112.243 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.52 122.17 45.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.446 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.19 129.03 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.078 0.466 . . . . 0.0 111.71 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.3 mt -92.83 119.91 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.018 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.448 HD13 ' CE1' ' C' ' 34' ' ' PHE . 3.9 tp -134.24 112.38 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -153.71 -66.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.75 -91.42 0.2 Allowed Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.108 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm 61.86 126.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 19.3 m 62.77 143.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -168.48 121.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -129.4 133.34 47.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.989 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.84 106.68 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.67 117.01 19.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 22.7 m -137.52 -50.76 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.46 176.66 5.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 28.3 p -104.56 -35.92 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -87.87 171.62 10.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . 0.4 ' O ' HG23 ' D' ' 21' ' ' VAL . . . -169.25 53.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.885 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . 0.4 HG23 ' O ' ' D' ' 20' ' ' ALA . 5.4 m 43.14 76.22 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.789 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.422 ' O ' ' HB ' ' D' ' 25' ' ' THR . 19.8 t70 -102.18 143.41 32.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.858 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.16 -43.79 67.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.179 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.54 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 41.2 m -63.51 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.224 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.471 ' CD2' ' CD1' ' C' ' 3' ' ' TYR . 30.2 t80 -64.17 -50.31 68.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.901 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -56.88 -49.32 75.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.8 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.35 -50.83 62.23 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 66.4 t -64.26 -43.61 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' D' ' 26' ' ' PHE . 58.6 t -69.83 -45.58 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.123 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . 0.432 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 74.5 tttt -64.88 -45.36 86.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.988 0.423 . . . . 0.0 110.637 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -65.02 -42.63 94.25 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.578 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 5.3 t80 -67.48 -47.3 70.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.458 ' CE1' HD13 ' C' ' 7' ' ' LEU . 30.5 m-85 -77.42 -30.04 53.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 1.0 OUTLIER -54.96 -29.45 56.82 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.015 0.436 . . . . 0.0 110.858 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -60.7 -17.77 50.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.942 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -103.62 -17.79 15.0 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.49 15.66 2.42 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.226 -0.987 . . . . 0.0 113.605 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 t -89.41 143.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 117.116 0.458 . . . . 0.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -156.65 -178.92 7.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.171 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.46 -144.63 18.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.312 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.84 156.26 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -72.95 118.42 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.236 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.6 p -110.9 140.47 45.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.526 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -70.6 142.96 51.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.762 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.86 158.75 35.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.11 130.04 41.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 142.48 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.699 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 26.9 m -137.58 156.34 48.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.314 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -125.0 120.61 32.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.401 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 24.3 m -106.71 132.94 52.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.377 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -80.93 118.56 22.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.403 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 91.2 m -92.98 123.11 35.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.514 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.32 155.8 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.24 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 53.5 m -148.95 -68.96 0.22 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.91 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.745 0.307 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -86.51 123.28 31.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.411 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.425 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.3 m-85 -110.73 130.45 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.402 0.62 . . . . 0.0 112.201 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -106.4 126.02 51.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.627 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.5 t -142.14 128.0 18.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.963 0.411 . . . . 0.0 111.303 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.41 HD11 HG21 ' A' ' 6' ' ' ILE . 23.8 mt -93.34 125.42 45.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -135.08 114.03 12.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.241 179.09 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -154.49 109.99 3.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.822 0.344 . . . . 0.0 111.141 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.02 99.93 1.44 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -72.11 123.6 23.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.354 . . . . 0.0 110.957 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.0 m 61.8 106.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tt -95.67 97.0 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -105.65 -175.92 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.57 29.78 11.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.669 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -131.84 119.63 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -95.51 108.93 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.653 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.2 m -136.06 -54.78 0.76 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.169 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -146.98 156.84 43.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 63.34 125.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.65 45.96 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.445 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 m -97.35 87.19 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.929 0.395 . . . . 0.0 110.632 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 25' ' ' THR . 28.8 t70 -102.11 143.7 31.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.418 0.628 . . . . 0.0 111.789 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.26 -44.68 33.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.613 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.64 68.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.262 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 98.7 m -62.2 -40.71 96.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.977 0.418 . . . . 0.0 110.448 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' B' ' 3' ' ' TYR . 19.6 t80 -66.98 -48.31 68.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.903 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 48.7 mt-10 -56.77 -52.4 65.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.013 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -67.29 -49.92 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.77 -42.5 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.8 t -71.37 -44.94 71.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.867 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -62.91 -46.22 88.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -63.26 -46.42 86.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.373 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.5 t80 -67.4 -46.38 73.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 39.1 m-85 -75.12 -33.45 61.59 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -31.02 63.19 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.989 0.424 . . . . 0.0 111.0 178.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -62.01 -17.65 57.89 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.119 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -105.74 -21.91 13.07 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.03 13.37 1.77 Allowed Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.319 -0.943 . . . . 0.0 114.183 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.3 t -89.31 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.557 0.679 . . . . 0.0 110.826 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.18 -179.02 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 111.111 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.37 -145.86 18.09 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.545 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -147.76 155.13 41.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.388 . . . . 0.0 110.986 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 97.6 m95 -73.32 117.73 15.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.197 0.522 . . . . 0.0 111.381 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -111.07 141.62 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.325 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -69.89 144.87 52.35 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.817 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.35 159.83 33.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -66.22 126.32 28.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.5 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 144.01 28.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.948 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -139.47 156.64 46.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.469 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -124.56 119.63 29.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.991 0.424 . . . . 0.0 111.348 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.9 m -105.28 133.66 49.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.459 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -80.14 118.72 22.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -91.9 123.21 35.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.373 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.48 154.93 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.2 m -147.66 -68.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.065 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.849 0.357 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.41 123.12 31.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.353 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.426 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -110.72 130.59 55.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.369 0.604 . . . . 0.0 112.287 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -106.39 126.07 51.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.612 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 23.0 t -142.13 127.89 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.369 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.407 HD11 HG21 ' B' ' 6' ' ' ILE . 24.4 mt -93.13 125.51 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.59 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.411 HD12 ' CD1' ' B' ' 26' ' ' PHE . 1.0 OUTLIER -135.28 113.67 11.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.326 179.053 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -153.17 108.9 3.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.66 73.91 1.83 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.34 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -150.92 40.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.996 0.427 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -101.07 102.4 13.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 29.0 mt 57.54 105.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -73.15 113.74 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.693 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.61 -147.06 4.9 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.626 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -129.55 167.15 18.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.78 0.324 . . . . 0.0 111.069 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t 44.43 30.4 0.48 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.155 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.4 p -60.98 153.9 23.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.081 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 50.6 p -94.52 -37.51 11.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.16 145.44 44.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.36 60.28 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.243 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 m -98.62 87.89 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' B' ' 25' ' ' THR . 28.3 t70 -101.95 143.6 31.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.398 0.618 . . . . 0.0 111.986 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.22 -44.89 33.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.561 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.2 -28.52 68.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.283 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 98.8 m -62.34 -40.7 97.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.019 0.437 . . . . 0.0 110.55 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 19.4 t80 -66.93 -48.21 69.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.889 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.404 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 48.5 mt-10 -56.79 -52.31 65.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.096 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -67.41 -49.86 61.98 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.81 -42.57 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 64.7 t -71.36 -44.9 71.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.873 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -62.9 -46.1 89.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.0 110.629 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.35 -46.38 86.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.388 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.497 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.5 t80 -67.4 -46.41 73.29 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.497 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 39.1 m-85 -75.03 -33.29 61.76 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -30.98 63.35 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.978 0.418 . . . . 0.0 110.973 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.01 -17.66 57.95 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.096 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -105.89 -21.66 13.1 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.73 13.53 1.81 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.334 -0.936 . . . . 0.0 114.164 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.8 t -89.3 143.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 117.527 0.664 . . . . 0.0 110.763 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -157.44 -179.24 7.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.116 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.45 -145.77 18.03 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -147.92 155.01 41.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.85 0.357 . . . . 0.0 110.98 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.404 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 97.5 m95 -73.32 117.86 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.233 0.54 . . . . 0.0 111.41 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.7 p -111.24 141.65 44.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.417 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -69.86 144.79 52.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.859 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 159.86 33.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -66.07 126.02 27.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.48 144.13 26.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.123 0.487 . . . . 0.0 111.888 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.2 m -139.57 156.71 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.487 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -124.64 119.58 29.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.066 0.46 . . . . 0.0 111.382 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 50.0 m -105.19 133.53 49.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.403 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -80.03 118.19 21.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.225 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 93.0 m -91.48 123.12 34.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.34 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.44 154.89 7.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 110.983 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.6 m -147.48 -67.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.084 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tpt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.901 0.382 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -86.38 123.17 31.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.42 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.4 m-85 -110.71 130.37 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.276 0.56 . . . . 0.0 112.244 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -106.31 126.13 51.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.601 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -142.25 127.75 17.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.399 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.423 HD11 HG21 ' C' ' 6' ' ' ILE . 23.7 mt -93.18 125.56 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.545 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.41 HD12 ' CD1' ' C' ' 26' ' ' PHE . 1.0 OUTLIER -135.14 114.01 11.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.193 179.037 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -155.02 112.93 3.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 110.989 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.69 -36.35 71.38 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.891 -0.671 . . . . 0.0 113.013 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 mttp 60.11 91.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 17.7 p 55.13 -169.94 0.07 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -80.17 178.52 8.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.984 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -110.13 160.47 16.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.58 -138.31 3.57 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.646 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -122.17 35.83 4.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.723 0.297 . . . . 0.0 111.052 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.2 m -122.3 -61.46 1.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 71.5 p -100.56 -177.06 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 32.0 p -141.27 110.39 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -146.3 157.9 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.7 34.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.244 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 m -100.06 87.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.353 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.425 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.2 t70 -102.19 143.58 31.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.423 0.63 . . . . 0.0 111.819 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.15 -44.85 32.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.633 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.39 -28.48 67.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.304 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 99.4 m -62.23 -40.83 97.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.953 0.406 . . . . 0.0 110.455 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 19.3 t80 -66.88 -47.98 70.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.944 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.407 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 49.5 mt-10 -56.98 -52.31 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.041 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -67.51 -49.66 62.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.78 -42.7 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 64.9 t -71.21 -44.84 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.951 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -63.07 -46.04 89.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.619 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -63.23 -46.32 87.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.431 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.497 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.3 t80 -67.56 -46.35 72.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.497 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 39.2 m-85 -75.09 -33.25 61.61 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -31.03 63.51 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.953 0.406 . . . . 0.0 110.911 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.91 -17.67 57.51 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.146 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -105.91 -21.73 13.08 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.97 13.29 1.79 Allowed Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.286 -0.959 . . . . 0.0 114.196 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 31.7 t -89.3 143.33 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 117.6 0.7 . . . . 0.0 110.779 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -157.27 -179.11 7.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.958 0.409 . . . . 0.0 111.091 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.5 -145.84 18.02 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -147.68 155.04 41.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.901 0.381 . . . . 0.0 111.008 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . 0.407 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 97.5 m95 -73.44 117.58 15.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.199 0.523 . . . . 0.0 111.29 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -111.13 141.87 44.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.326 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -69.88 145.02 52.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.923 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.55 159.69 33.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.17 126.02 27.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.4 143.93 27.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.1 0.476 . . . . 0.0 111.918 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -139.47 156.67 46.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.49 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -124.55 119.66 29.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 111.357 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 48.3 m -105.36 133.55 49.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.397 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -80.12 118.16 21.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 95.0 m -91.32 123.25 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.42 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.53 154.88 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 38.8 m -147.74 -67.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.059 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.23 123.06 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.375 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.42 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.0 m-85 -110.7 130.6 55.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.334 0.588 . . . . 0.0 112.185 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -106.42 126.23 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.617 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -142.18 128.0 18.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.963 0.411 . . . . 0.0 111.444 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -93.3 125.54 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.512 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.403 HD12 ' CD1' ' D' ' 26' ' ' PHE . 1.0 OUTLIER -135.09 113.99 11.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.212 179.062 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -154.86 110.26 3.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.799 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.91 -27.56 28.49 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.984 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 170.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p 55.72 170.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp -80.1 165.16 22.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -81.66 120.34 24.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.069 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.57 -61.63 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -153.19 132.89 13.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -86.2 153.9 21.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 14.6 m -140.62 -58.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.726 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 16.6 p -131.61 -73.76 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.793 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -71.95 124.07 24.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.75 44.77 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 3.5 m -99.66 87.48 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' D' ' 25' ' ' THR . 28.6 t70 -102.21 143.63 31.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.41 0.624 . . . . 0.0 111.7 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.22 -44.74 33.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.582 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.7 68.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.307 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 99.0 m -62.23 -40.57 96.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.514 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' C' ' 3' ' ' TYR . 19.5 t80 -67.08 -48.3 68.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.832 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . 0.406 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 49.2 mt-10 -56.75 -52.37 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.052 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -67.32 -49.68 63.13 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.91 -42.56 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 65.3 t -71.23 -45.02 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.916 -179.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.82 -46.22 88.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.584 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -63.3 -46.47 86.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.314 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.4 t80 -67.35 -46.46 73.33 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 39.2 m-85 -74.93 -33.33 61.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -30.98 63.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.945 0.403 . . . . 0.0 111.024 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.1 -17.63 58.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.106 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 19.0 p30 -105.76 -21.88 13.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.95 13.34 1.79 Allowed Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.274 -0.965 . . . . 0.0 114.213 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 29.3 t -89.31 143.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 117.542 0.671 . . . . 0.0 110.732 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -157.21 -179.16 7.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 111.085 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.49 -145.88 18.03 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -147.79 155.05 41.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.847 0.356 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . 0.406 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 97.5 m95 -73.24 117.64 15.24 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.211 0.529 . . . . 0.0 111.411 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 65.0 p -111.02 141.79 44.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.416 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.1 144.87 51.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.857 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.34 159.7 33.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.06 126.35 28.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.55 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.79 144.1 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.132 0.492 . . . . 0.0 111.954 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -139.44 156.61 46.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.428 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -124.56 119.66 29.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.074 0.464 . . . . 0.0 111.375 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 49.7 m -105.26 133.59 49.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.392 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -80.09 118.04 21.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.0 m -91.41 123.29 34.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.408 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.44 154.77 7.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.956 0.408 . . . . 0.0 111.031 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 39.9 m -147.47 -67.87 0.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.843 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.032 179.805 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.41 121.62 31.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.127 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.411 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 41.1 m-85 -106.21 128.9 54.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.445 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.36 133.01 51.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -142.34 127.15 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -100.89 117.29 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 111.443 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -105.23 120.91 42.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.004 179.097 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -154.55 107.49 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.11 71.69 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.565 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -140.46 111.64 7.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.8 p -85.48 143.9 28.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.709 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tp -76.88 -33.17 57.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -116.11 165.76 12.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.33 -160.59 34.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.412 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -129.84 114.8 16.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -65.64 147.83 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -160.05 -54.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.0 p -104.84 81.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.031 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.91 121.23 15.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.792 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.24 -73.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.29 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.1 t -74.37 72.38 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.215 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 25' ' ' THR . 35.0 t70 -99.83 140.79 33.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.279 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.51 -41.49 53.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.544 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.13 71.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.356 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 15.3 m -63.85 -41.06 97.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.619 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.407 ' CD2' ' CD1' ' B' ' 3' ' ' TYR . 40.9 t80 -66.81 -46.91 73.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.04 0.448 . . . . 0.0 111.009 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 3.2 tt0 -54.89 -50.8 67.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.258 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -67.08 -44.62 79.59 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.416 HG22 ' CZ ' ' B' ' 33' ' ' PHE . 64.7 t -62.44 -41.34 91.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.94 -47.11 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -62.62 -46.0 90.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.959 0.409 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.78 -40.59 92.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.761 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.419 ' CZ ' HG22 ' B' ' 29' ' ' VAL . 4.5 t80 -68.35 -49.59 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.403 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 30.2 m-85 -76.78 -30.99 56.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.67 -31.06 57.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 111.186 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -17.89 58.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.803 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -103.49 -19.93 14.22 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.0 15.85 3.06 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.501 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.6 t -88.99 142.73 12.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 117.234 0.517 . . . . 0.0 110.279 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -155.76 -177.48 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.43 . . . . 0.0 111.23 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.01 -145.21 18.15 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.259 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -148.61 155.96 41.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.934 0.397 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.419 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 83.6 m95 -73.13 121.02 19.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.394 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.7 p -113.02 138.43 49.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.363 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.84 142.61 53.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.617 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.66 158.73 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.701 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -66.32 131.73 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.724 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.45 141.98 34.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.044 0.45 . . . . 0.0 111.719 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.8 m -136.63 156.73 48.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.765 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -120.66 126.91 51.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.003 0.43 . . . . 0.0 111.231 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.2 m -115.29 129.93 56.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.42 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -81.04 121.19 25.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.557 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -96.52 122.22 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.061 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -71.04 155.59 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.216 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.1 m -148.53 -69.6 0.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.919 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.4 121.59 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.041 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.407 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 40.8 m-85 -106.2 128.87 54.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.509 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.31 132.86 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.32 127.12 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.685 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.5 mt -100.93 117.34 46.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 111.512 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' B' ' 26' ' ' PHE . 0.6 OUTLIER -105.05 121.16 43.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.067 179.063 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -155.48 114.9 3.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 0.0 111.354 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.46 79.87 0.91 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.565 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -78.63 142.42 37.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.795 0.331 . . . . 0.0 110.77 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.08 80.46 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.988 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt -152.29 179.72 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.768 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? 59.78 108.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.37 102.46 0.74 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.266 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -147.52 -177.43 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 111.027 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.0 t -60.32 164.95 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.9 p -61.83 -75.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t 44.77 -167.87 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.98 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -65.52 -178.52 0.53 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.4 39.73 1.19 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.284 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t 48.21 77.03 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.397 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.409 ' O ' ' HB ' ' B' ' 25' ' ' THR . 33.8 t70 -99.01 140.06 33.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.378 0.608 . . . . 0.0 112.269 -179.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.68 -41.79 56.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.472 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.19 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.314 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 14.9 m -63.88 -40.82 97.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.665 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.411 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 41.0 t80 -66.99 -46.95 72.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.42 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 3.1 tt0 -54.87 -50.77 67.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.318 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -66.99 -44.76 79.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.419 HG22 ' CZ ' ' A' ' 33' ' ' PHE . 64.6 t -62.36 -41.3 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 36.2 t -67.96 -47.17 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -62.57 -45.92 90.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.975 0.417 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.87 -40.72 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.755 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.416 ' CZ ' HG22 ' A' ' 29' ' ' VAL . 4.5 t80 -68.23 -49.48 60.38 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.401 ' CE2' ' CE2' ' B' ' 33' ' ' PHE . 30.1 m-85 -76.76 -31.1 56.85 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.67 -30.99 56.99 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.856 0.36 . . . . 0.0 111.219 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -17.74 58.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.836 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -103.62 -20.06 14.13 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.12 15.96 3.0 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.437 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.5 t -89.14 142.8 12.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 117.223 0.512 . . . . 0.0 110.176 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -155.81 -177.37 6.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.384 . . . . 0.0 111.121 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.92 -145.35 18.2 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.265 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -148.61 155.87 41.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.42 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 83.5 m95 -72.9 120.99 19.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.432 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 81.2 p -113.01 138.54 49.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.37 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -69.82 142.7 53.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.692 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.63 158.56 35.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.686 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -66.21 131.92 47.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.39 141.56 35.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.059 0.456 . . . . 0.0 111.689 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -136.39 156.67 48.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.735 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -120.64 127.09 51.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.033 0.444 . . . . 0.0 111.259 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 53.3 m -115.41 129.98 56.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.455 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -81.11 121.24 25.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.553 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -96.59 121.94 38.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.086 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 t -70.8 155.43 7.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.927 0.394 . . . . 0.0 111.204 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 57.2 m -148.22 -69.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.917 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.749 0.309 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -89.5 121.69 31.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.419 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 41.0 m-85 -106.17 128.94 54.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.443 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.46 133.04 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -142.23 127.19 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.712 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -100.98 117.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.75 0.31 . . . . 0.0 111.559 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' C' ' 26' ' ' PHE . 0.6 OUTLIER -105.01 121.04 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.088 179.026 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -155.81 114.78 3.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.357 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.42 120.81 6.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.423 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -109.74 177.03 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.106 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p 54.36 178.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.635 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 tt -139.89 103.21 4.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.754 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -135.15 150.81 50.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.08 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.77 99.59 2.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.541 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.22 -176.2 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -75.19 -36.59 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.79 -66.09 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -155.97 -77.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 56.35 37.96 29.3 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.45 44.49 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.48 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t 48.4 77.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.456 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.419 ' O ' ' HB ' ' C' ' 25' ' ' THR . 34.1 t70 -99.19 140.27 33.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.49 0.662 . . . . 0.0 112.163 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.67 -41.82 55.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.506 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.14 -31.04 71.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.289 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 14.8 m -63.75 -41.01 98.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.68 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.415 ' CD2' ' CD1' ' D' ' 3' ' ' TYR . 40.5 t80 -66.76 -47.14 73.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.091 0.472 . . . . 0.0 110.988 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.416 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 3.2 tt0 -54.79 -50.85 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.211 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -66.84 -44.98 79.64 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . 0.405 HG22 ' CZ ' ' D' ' 33' ' ' PHE . 64.0 t -62.21 -41.5 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 37.0 t -68.01 -46.97 80.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -62.51 -46.1 89.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.962 0.41 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -65.78 -40.71 92.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.785 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.403 ' CZ ' HG22 ' D' ' 29' ' ' VAL . 4.5 t80 -68.21 -49.54 60.12 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -76.68 -31.15 57.09 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.6 -30.98 56.19 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 111.284 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.98 -17.91 58.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.789 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -103.47 -20.01 14.2 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.16 15.84 3.02 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.56 -0.829 . . . . 0.0 113.468 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.02 142.82 12.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 117.227 0.514 . . . . 0.0 110.198 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -155.82 -177.39 6.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 111.179 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.78 -145.24 18.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.19 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -148.76 155.96 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.981 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . 0.416 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 83.4 m95 -73.04 121.04 19.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.442 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -112.98 138.45 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.374 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.89 142.57 52.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.688 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.56 158.75 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.754 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -66.32 131.95 47.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.3 141.55 35.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.058 0.456 . . . . 0.0 111.664 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -136.36 156.67 48.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.736 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -120.81 126.92 51.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.061 0.458 . . . . 0.0 111.16 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 53.6 m -115.28 130.07 56.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.295 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -81.12 121.12 25.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.55 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -96.43 122.05 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.117 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 t -70.94 155.54 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.967 0.413 . . . . 0.0 111.14 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 56.5 m -148.33 -69.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.088 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.863 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.721 0.296 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -89.46 121.5 31.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.415 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 40.8 m-85 -106.11 128.82 54.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.473 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -106.33 132.99 51.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.38 127.06 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.688 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mt -100.74 117.3 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 111.559 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.403 HD13 ' CD1' ' D' ' 26' ' ' PHE . 0.5 OUTLIER -105.23 121.14 43.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.064 179.06 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -155.03 110.01 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.0 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.29 66.7 0.57 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.629 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.15 41.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.969 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -111.26 178.76 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 65.4 mt -96.89 -37.66 10.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -123.23 128.04 49.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.851 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.24 -83.52 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.434 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.18 148.92 21.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 8.8 t -75.69 -38.52 58.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.03 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.87 174.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 20.4 p -95.91 -47.11 6.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.987 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.42 139.61 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.806 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.56 -55.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.977 0.418 . . . . 0.0 111.557 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 t -73.81 72.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.148 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.414 ' O ' ' HB ' ' D' ' 25' ' ' THR . 35.0 t70 -100.03 140.84 33.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.31 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.45 -41.49 52.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.49 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.1 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.377 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 15.2 m -63.74 -41.1 98.08 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.649 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.419 ' CD2' ' CD1' ' C' ' 3' ' ' TYR . 40.6 t80 -66.76 -46.99 73.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.077 0.465 . . . . 0.0 110.999 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . 0.418 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 3.2 tt0 -54.86 -50.88 67.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.187 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -66.95 -44.76 79.76 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . 0.403 HG22 ' CZ ' ' C' ' 33' ' ' PHE . 64.4 t -62.31 -41.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 37.2 t -67.94 -47.08 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -62.64 -45.93 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.82 -40.61 92.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.838 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.405 ' CZ ' HG22 ' C' ' 29' ' ' VAL . 4.5 t80 -68.39 -49.4 60.35 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.404 ' CE2' ' CE2' ' D' ' 33' ' ' PHE . 30.2 m-85 -76.8 -30.99 56.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -31.06 57.36 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.935 0.398 . . . . 0.0 111.274 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.92 -17.89 58.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.842 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -103.58 -19.91 14.19 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.04 16.01 3.02 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.472 -0.871 . . . . 0.0 113.42 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.16 142.82 12.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 117.247 0.523 . . . . 0.0 110.174 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -155.83 -177.4 6.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 0.0 111.149 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.81 -145.18 18.2 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.133 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -148.81 155.95 41.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.378 . . . . 0.0 110.955 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . 0.418 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 83.4 m95 -72.92 121.01 19.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.423 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.1 p -112.94 138.39 49.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.405 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -69.73 142.69 53.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.61 158.57 35.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -66.11 131.68 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.3 141.78 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.678 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 13.9 m -136.52 156.77 48.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.808 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -120.76 127.09 51.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.041 0.448 . . . . 0.0 111.182 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 53.0 m -115.37 130.04 56.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.51 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -81.21 121.17 25.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.466 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 94.2 m -96.53 122.04 39.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.1 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 5.4 t -70.86 155.63 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 111.172 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 56.8 m -148.55 -69.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.079 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.877 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.777 0.322 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -88.83 122.21 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.401 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.424 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 40.7 m-85 -108.52 132.67 53.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 111.896 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -106.59 129.58 54.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.8 t -142.34 125.0 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.61 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.24 117.21 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.717 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -111.98 122.27 47.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.188 178.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -155.79 107.45 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.67 63.76 3.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.309 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.9 mttt 63.37 124.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.7 p -104.94 69.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.783 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.78 -40.05 4.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.778 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? 58.55 104.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.33 -38.93 0.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.342 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -164.53 93.99 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.383 . . . . 0.0 110.756 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -64.29 135.41 56.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -120.27 -53.99 2.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -97.51 137.48 36.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -130.01 105.33 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -167.08 -66.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.068 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 t -78.99 59.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.457 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.7 t0 -102.7 146.49 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.325 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.09 -43.14 61.0 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.073 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.21 -30.24 68.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.216 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 30.7 m -61.71 -37.88 85.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.002 0.43 . . . . 0.0 110.392 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.425 ' CD1' HD13 ' A' ' 7' ' ' LEU . 16.0 t80 -68.32 -48.73 64.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.024 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.24 -53.64 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.293 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -67.8 -47.55 68.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -63.07 -41.81 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -69.74 -45.7 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -63.26 -45.15 92.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.03 0.443 . . . . 0.0 110.536 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -45.41 90.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.213 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 3.9 t80 -67.05 -47.08 72.43 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.507 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 38.1 m-85 -74.84 -32.88 62.04 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -30.5 62.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.943 0.401 . . . . 0.0 111.085 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -61.36 -17.47 54.1 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.359 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -107.78 -20.47 13.2 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.8 14.52 1.67 Allowed Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.246 -0.978 . . . . 0.0 114.235 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.73 143.53 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 117.651 0.726 . . . . 0.0 110.741 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -153.56 -178.2 6.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 111.049 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.94 -145.56 18.72 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.727 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -150.34 157.87 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.924 0.392 . . . . 0.0 111.135 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -72.9 119.9 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.236 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -113.71 139.98 48.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.524 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.03 142.57 50.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.92 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.56 160.34 32.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -66.07 132.23 48.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.337 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.38 139.79 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.085 0.469 . . . . 0.0 112.019 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -132.22 156.53 46.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.523 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -124.4 122.55 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.027 0.441 . . . . 0.0 111.287 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -109.46 128.36 55.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.194 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.05 113.55 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.247 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -91.69 124.57 35.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.364 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.3 t -71.44 156.77 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.186 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.0 m -143.93 -77.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.444 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.01 179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.836 0.35 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -88.82 122.08 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.545 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 40.5 m-85 -108.67 132.53 53.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.274 0.559 . . . . 0.0 111.853 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -106.43 129.82 54.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.074 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.37 125.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.656 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 19.5 mt -98.42 117.26 43.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.734 0.302 . . . . 0.0 111.795 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.42 HD13 ' CD1' ' B' ' 26' ' ' PHE . 0.5 OUTLIER -112.03 122.94 49.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.234 178.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -156.64 114.88 3.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.748 0.309 . . . . 0.0 111.396 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.91 -100.63 0.14 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.815 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? 64.2 92.99 0.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.911 0.386 . . . . 0.0 110.91 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.34 124.57 20.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.1 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 tt -114.86 -48.85 2.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -102.72 110.56 22.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.47 -126.14 1.73 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.603 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -128.89 171.02 12.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -66.32 110.63 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.814 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 66.5 p -147.53 160.41 42.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.052 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 8.6 t -115.42 174.98 5.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 59.24 91.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.207 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.84 29.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 16.6 t 53.87 65.06 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.665 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' B' ' 25' ' ' THR . 27.9 t0 -102.27 145.78 28.96 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.492 0.663 . . . . 0.0 112.148 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.27 -43.46 61.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.232 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.11 68.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.285 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 31.5 m -61.83 -37.8 85.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.439 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 16.6 t80 -68.45 -48.63 64.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.962 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.45 -53.47 53.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.209 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -67.79 -47.58 68.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 90.7 t -63.01 -41.88 94.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.67 -45.78 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -63.12 -45.2 93.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -45.52 90.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.225 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.0 t80 -66.89 -47.12 72.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 37.8 m-85 -74.89 -32.81 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -30.53 62.98 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.944 0.402 . . . . 0.0 111.122 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -61.34 -17.45 53.93 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.388 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -107.76 -20.07 13.33 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.17 14.81 1.75 Allowed Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.18 -1.01 . . . . 0.0 114.24 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -89.96 143.47 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 117.606 0.703 . . . . 0.0 110.672 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -153.39 -178.33 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.052 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.15 -145.64 18.69 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.781 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -150.32 157.81 43.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.84 0.353 . . . . 0.0 111.221 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -72.95 119.88 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.24 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.2 p -113.8 140.1 48.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.498 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.0 142.42 50.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.917 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.46 160.45 32.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.07 132.11 47.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.559 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.08 139.4 35.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.094 0.473 . . . . 0.0 111.822 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 10.0 m -132.1 156.59 46.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -124.64 122.2 36.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.065 0.459 . . . . 0.0 111.43 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 54.5 m -109.2 128.41 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.107 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -82.17 113.23 19.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.292 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -91.34 124.54 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.302 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 t -71.62 156.91 6.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.214 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 60.0 m -143.93 -77.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.354 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.957 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.759 0.314 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -88.76 122.19 31.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.593 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.413 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 40.6 m-85 -108.54 132.62 53.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.245 0.545 . . . . 0.0 111.904 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -106.61 129.69 54.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.34 124.95 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.622 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 18.6 mt -98.16 117.26 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.748 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.414 HD13 ' CD1' ' C' ' 26' ' ' PHE . 0.5 OUTLIER -111.92 122.81 48.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -156.59 111.09 2.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.62 109.52 3.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.583 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -93.73 114.99 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.729 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -86.87 115.92 24.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -82.29 159.46 23.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -101.38 98.95 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.781 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.77 -80.71 0.19 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.371 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -77.79 152.4 33.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 0.0 110.789 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -64.89 -50.23 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.13 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 12.8 p 55.7 174.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 44.9 p -134.33 132.69 39.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -75.37 140.35 42.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.01 -51.23 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.048 0.452 . . . . 0.0 111.183 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 t -75.87 62.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' C' ' 25' ' ' THR . 29.9 t0 -102.51 146.36 28.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.43 0.633 . . . . 0.0 111.575 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.16 -43.29 61.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.119 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.08 -30.06 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.244 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 30.9 m -61.85 -37.83 85.96 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.043 0.449 . . . . 0.0 110.457 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 16.2 t80 -68.37 -48.77 63.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.941 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -54.24 -53.59 51.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.294 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -67.83 -47.47 68.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 90.4 t -63.06 -41.82 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -69.61 -45.7 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -63.3 -45.13 92.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.035 0.445 . . . . 0.0 110.616 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.55 -45.16 91.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.264 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 3.9 t80 -67.18 -47.11 71.95 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 38.5 m-85 -74.91 -32.91 61.92 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.44 -30.51 62.93 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.005 0.431 . . . . 0.0 111.114 178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.32 -17.38 53.45 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.387 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -107.9 -20.26 13.25 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.49 14.52 1.73 Allowed Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.244 -0.979 . . . . 0.0 114.363 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.72 143.52 11.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 117.5 0.65 . . . . 0.0 110.694 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -153.61 -178.1 6.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.019 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.9 -145.51 18.71 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.784 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -150.31 157.86 43.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 111.151 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -73.04 120.05 18.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.235 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -113.86 140.02 48.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.541 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -70.91 142.31 51.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.94 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.27 160.44 32.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.23 132.42 48.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.37 139.54 36.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.082 0.468 . . . . 0.0 111.904 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 10.9 m -131.98 156.55 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.421 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -124.39 122.39 37.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 111.314 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 53.8 m -109.4 128.35 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.158 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -82.24 113.54 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -91.57 124.54 35.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.373 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 t -71.36 156.86 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 111.137 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 61.4 m -144.0 -77.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.409 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.94 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.823 0.344 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -88.8 122.1 31.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.473 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.419 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 41.1 m-85 -108.58 132.65 53.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.212 0.53 . . . . 0.0 111.919 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -106.55 129.9 54.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 20.2 t -142.36 124.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.671 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 18.7 mt -98.39 117.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.769 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' D' ' 26' ' ' PHE . 0.6 OUTLIER -112.04 122.87 48.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.054 178.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -156.69 114.59 3.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.065 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.21 97.27 0.04 OUTLIER Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.948 -0.644 . . . . 0.0 113.151 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 18.1 tttt 62.1 144.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.937 0.399 . . . . 0.0 111.236 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 5.8 p -88.43 128.12 35.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.117 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 tp 58.01 99.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.333 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? 62.47 145.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.08 105.63 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.831 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -134.36 161.39 35.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.589 0.233 . . . . 0.0 110.562 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t 44.46 36.63 1.73 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.762 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.79 164.58 13.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.903 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.65 159.34 29.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.039 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -94.3 140.74 29.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.57 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 6.5 t -79.32 59.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.37 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' D' ' 25' ' ' THR . 31.1 t0 -102.69 146.32 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.365 0.602 . . . . 0.0 111.321 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.06 -43.19 60.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.12 68.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.305 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 31.6 m -61.83 -37.92 86.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.086 0.47 . . . . 0.0 110.427 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.419 ' CD1' HD13 ' D' ' 7' ' ' LEU . 16.3 t80 -68.33 -48.61 64.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.981 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.34 -53.48 53.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.282 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -67.88 -47.52 68.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.12 -41.82 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -69.61 -45.9 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -63.17 -45.15 93.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.941 0.401 . . . . 0.0 110.478 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -45.45 90.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.3 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.499 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 3.9 t80 -66.95 -47.19 72.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 38.1 m-85 -74.87 -32.86 61.98 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -30.49 62.84 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.005 0.431 . . . . 0.0 111.107 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.41 -17.41 54.05 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.368 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -107.76 -20.06 13.33 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.31 14.62 1.75 Allowed Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.229 -0.986 . . . . 0.0 114.203 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -89.86 143.49 11.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 117.622 0.711 . . . . 0.0 110.718 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -153.53 -178.31 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.022 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.16 -145.8 18.71 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.844 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -150.15 157.75 43.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 111.21 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -72.98 120.05 18.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.254 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -113.86 140.01 48.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.559 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -71.04 142.58 50.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.883 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.55 160.26 32.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -66.0 132.42 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.466 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.66 139.83 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 111.952 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 10.3 m -132.13 156.63 46.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.612 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -124.59 121.99 36.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.988 0.423 . . . . 0.0 111.326 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -108.99 128.46 54.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.177 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.17 113.28 19.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -91.32 124.6 35.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.342 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 7.6 t -71.67 156.7 6.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 0.0 111.109 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 59.8 m -143.78 -77.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.416 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.905 -179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -91.62 124.89 36.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.161 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 43.5 m-85 -108.84 133.57 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.231 0.538 . . . . 0.0 112.093 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -106.66 126.38 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.559 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.4 t -141.8 130.01 21.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.607 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' B' ' 1' ' ' MET . 24.9 mt -95.61 123.07 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.348 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp -134.48 113.44 11.83 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -152.61 -60.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.926 0.394 . . . . 0.0 110.819 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.03 -60.88 0.66 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.626 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.9 tttm 61.86 155.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.925 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 t -75.62 158.4 32.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.82 120.97 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -155.32 87.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.27 53.56 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.435 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -155.4 151.28 27.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 111.048 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -92.28 145.67 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p 55.38 -171.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -114.95 175.88 5.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -126.31 -173.7 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.597 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.97 51.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.349 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.9 m -98.68 84.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.859 0.362 . . . . 0.0 111.067 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' A' ' 25' ' ' THR . 9.9 t70 -100.45 142.9 31.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.29 0.567 . . . . 0.0 111.441 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.0 -44.69 30.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.483 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.41 -28.51 67.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.322 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 95.6 m -61.81 -40.49 95.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.019 0.438 . . . . 0.0 110.511 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.424 ' CD2' ' CD1' ' B' ' 3' ' ' TYR . 19.2 t80 -66.9 -49.18 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.873 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.04 -53.8 52.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.2 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -65.9 -49.71 67.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.53 -41.54 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 66.6 t -71.42 -46.12 65.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 35.2 tttt -62.88 -45.59 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.693 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -63.3 -46.03 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.042 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.516 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.9 t80 -67.65 -46.48 72.3 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.516 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 38.7 m-85 -74.82 -33.56 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -55.87 -31.02 62.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.012 0.434 . . . . 0.0 110.868 178.707 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.65 -18.3 58.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.08 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.5 p30 -105.02 -20.71 13.44 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.81 15.34 1.75 Allowed Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.106 -1.045 . . . . 0.0 114.049 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 t -90.12 143.07 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 117.34 0.57 . . . . 0.0 110.861 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -155.22 179.97 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.012 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.96 -144.66 17.97 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.399 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -148.73 156.16 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -73.32 118.9 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.065 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.1 p -111.61 139.91 46.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.747 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.85 141.11 49.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.491 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.51 160.1 33.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.646 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.69 136.86 56.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.469 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.05 138.4 44.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.181 0.515 . . . . 0.0 111.952 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.2 m -126.67 156.51 40.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.501 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -125.02 115.97 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -107.04 127.72 53.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.375 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -81.05 115.23 20.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.486 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -91.43 124.04 35.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.388 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 t -71.47 156.77 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 111.275 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.9 m -148.19 -69.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.916 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.419 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -91.49 124.71 35.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.236 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 44.2 m-85 -108.79 133.5 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.224 0.535 . . . . 0.0 112.072 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -106.45 126.51 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.615 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -141.92 129.87 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 111.586 -179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 1' ' ' MET . 25.6 mt -95.52 123.24 47.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.273 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.409 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp -134.56 113.0 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -153.61 -63.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.059 0.456 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.9 -91.2 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.301 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp 56.6 102.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 111.056 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -141.15 148.33 39.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.85 149.27 45.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -76.21 86.12 3.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.52 -51.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.451 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.26 143.96 25.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.778 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -97.81 112.23 24.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -157.91 171.87 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.5 p -85.98 -73.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -176.6 152.73 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.25 -46.72 3.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -96.43 85.37 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.685 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' B' ' 25' ' ' THR . 10.1 t70 -100.27 142.62 31.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.555 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.96 -44.62 30.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.419 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.48 -28.51 67.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.384 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.443 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 93.6 m -61.89 -40.55 95.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.404 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.424 ' CD2' ' CD1' ' A' ' 3' ' ' TYR . 19.1 t80 -66.78 -49.31 66.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.8 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -55.91 -53.85 51.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.175 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -65.99 -49.49 67.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.61 -41.63 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 67.6 t -71.24 -46.42 65.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -62.68 -45.56 92.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.389 . . . . 0.0 110.718 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -63.29 -46.0 88.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.154 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.509 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.9 t80 -67.62 -46.58 72.11 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.509 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 38.6 m-85 -74.85 -33.53 62.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.86 -30.87 62.18 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.988 0.423 . . . . 0.0 110.84 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.82 -18.37 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.988 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -104.96 -20.73 13.45 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.82 15.04 1.79 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.102 -1.047 . . . . 0.0 114.087 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 30.1 t -89.91 142.98 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 117.346 0.573 . . . . 0.0 110.921 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -155.16 179.86 8.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.081 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.26 -144.56 17.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -148.92 156.08 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.28 118.76 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.2 p -111.46 139.89 46.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.79 141.18 49.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.525 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.56 160.17 33.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.67 136.77 56.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.55 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.89 138.37 43.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.142 0.496 . . . . 0.0 111.914 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 47.9 m -126.64 156.61 40.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.473 179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -125.08 115.93 21.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.013 0.435 . . . . 0.0 111.079 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 55.4 m -107.1 127.87 53.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.319 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -81.04 115.13 20.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.503 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.9 m -91.38 123.93 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.356 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 t -71.4 156.83 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 0.0 111.24 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 58.2 m -148.36 -69.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.95 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.423 ' O ' ' HA ' ' D' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -91.67 124.88 36.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.225 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.431 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 43.6 m-85 -108.78 133.47 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.277 0.561 . . . . 0.0 112.09 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -106.52 126.43 52.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.527 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 18.9 t -141.9 129.91 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.493 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' D' ' 1' ' ' MET . 25.2 mt -95.55 123.13 47.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.344 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -134.55 113.25 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -152.69 -63.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.027 0.441 . . . . 0.0 111.154 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.4 133.37 6.94 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.304 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -117.22 105.13 11.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.81 169.1 11.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 mt 60.8 83.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -171.75 42.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.744 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.95 173.46 48.57 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.54 35.89 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.953 0.406 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -85.14 -45.12 12.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.024 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -118.29 -177.84 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -137.07 -62.24 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.018 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 60.7 166.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.02 61.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 4.0 m -101.62 85.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.625 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' C' ' 25' ' ' THR . 9.8 t70 -100.86 142.88 31.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.283 0.563 . . . . 0.0 111.455 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.03 -44.72 31.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.455 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.4 -28.42 67.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.379 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 93.9 m -61.86 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 110.415 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.439 ' CD2' ' CD1' ' D' ' 3' ' ' TYR . 19.3 t80 -67.05 -49.26 65.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.773 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -55.94 -53.94 50.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.162 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -65.94 -49.81 66.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 61.3 t -62.37 -41.47 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 70.9 t -71.45 -46.08 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -62.85 -45.67 91.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.938 0.399 . . . . 0.0 110.729 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -63.11 -46.18 88.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.503 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 5.0 t80 -67.46 -46.59 72.6 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.503 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 38.6 m-85 -74.88 -33.55 62.09 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -30.92 62.24 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.801 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -61.77 -18.3 59.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.997 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -105.0 -20.79 13.42 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.79 15.3 1.76 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.099 -1.048 . . . . 0.0 114.051 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 30.6 t -90.04 142.89 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 117.377 0.588 . . . . 0.0 110.917 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -155.17 179.92 8.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.925 0.393 . . . . 0.0 111.04 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.1 -144.62 17.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.359 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -148.89 156.07 41.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.906 0.384 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.25 118.76 16.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 66.3 p -111.36 139.86 46.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.735 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -71.77 141.07 49.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.51 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.55 160.16 33.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.655 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.66 136.89 56.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.498 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.97 138.27 44.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.057 0.456 . . . . 0.0 111.984 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 46.8 m -126.61 156.58 40.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.433 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -125.0 115.88 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -107.02 127.8 53.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.414 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -81.05 115.25 20.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.641 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 88.4 m -91.46 124.01 35.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.371 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 t -71.46 156.71 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 111.283 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 57.3 m -148.2 -68.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.418 ' O ' ' HA ' ' C' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -91.66 124.7 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.145 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.439 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 43.8 m-85 -108.61 133.46 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.227 0.537 . . . . 0.0 112.067 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -106.53 126.39 52.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.596 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 t -141.78 129.92 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.601 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' C' ' 1' ' ' MET . 26.0 mt -95.55 123.19 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.358 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.412 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.1 mp -134.56 113.4 11.73 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -152.73 -63.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 110.994 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.71 -62.9 0.63 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.433 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -90.16 125.14 35.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 2.1 m -137.79 31.92 2.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.51 37.7 25.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.244 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -139.18 45.22 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.99 0.424 . . . . 0.0 110.773 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.68 -171.92 17.74 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -160.31 40.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.731 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 43.9 m -66.76 121.72 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.158 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 16.5 p 54.76 179.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.414 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -70.31 165.02 23.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.062 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -68.52 132.32 46.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.16 -35.55 10.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.255 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 3.4 m -93.59 84.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' D' ' 25' ' ' THR . 10.2 t70 -100.08 142.74 31.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.511 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.07 -44.5 31.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.512 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.49 67.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.346 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 94.7 m -61.74 -40.61 95.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.458 . . . . 0.0 110.485 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' C' ' 3' ' ' TYR . 19.3 t80 -66.86 -49.22 66.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.04 -53.79 52.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.196 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -66.06 -49.48 67.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 61.6 t -62.56 -41.64 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 67.7 t -71.26 -46.25 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -62.79 -45.63 91.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.635 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -63.32 -45.93 89.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.511 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.9 t80 -67.61 -46.56 72.2 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.511 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 38.5 m-85 -74.87 -33.58 62.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -30.89 62.19 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.983 0.42 . . . . 0.0 110.881 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -61.81 -18.42 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.919 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -104.91 -20.58 13.51 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.81 14.97 1.8 Allowed Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.098 -1.048 . . . . 0.0 114.058 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 29.5 t -90.0 142.99 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 117.446 0.623 . . . . 0.0 110.88 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -155.14 -179.98 8.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.99 -144.66 17.97 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -148.8 156.13 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.34 118.9 16.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.024 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -111.5 139.93 46.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.717 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.75 141.05 49.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.508 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.49 160.08 33.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.667 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.56 136.93 56.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.63 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.9 138.4 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.969 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 47.6 m -126.85 156.54 41.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.42 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -124.99 115.96 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.385 . . . . 0.0 111.231 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -107.04 127.87 53.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.37 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -81.18 115.3 20.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.51 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 82.6 m -91.57 123.93 35.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.33 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 t -71.47 156.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.942 0.401 . . . . 0.0 111.268 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 57.6 m -147.94 -68.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.96 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.729 0.299 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -89.4 122.61 32.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.468 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CD2' ' CD2' ' B' ' 26' ' ' PHE . 41.4 m-85 -110.53 135.26 51.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.479 0.657 . . . . 0.0 112.375 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -106.49 132.65 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.774 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.2 127.56 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 mt -98.58 125.19 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.478 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.418 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.9 mp -134.36 115.02 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -92.0 111.51 23.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 111.119 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.56 52.16 1.34 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -164.89 148.68 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 m -113.49 141.14 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.18 -35.36 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.756 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -82.04 126.3 31.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.87 63.26 4.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -136.6 166.98 22.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.1 t -69.92 117.57 11.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -147.4 164.91 31.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 p -102.33 145.33 29.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.971 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -76.21 172.76 12.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.71 -77.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.196 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.1 m -84.27 68.85 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.345 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' A' ' 25' ' ' THR . 1.9 m-20 -102.17 145.59 29.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.42 -43.72 44.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.14 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.58 -29.46 68.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.347 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 73.9 m -62.56 -39.95 95.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CD2' ' CD2' ' B' ' 3' ' ' TYR . 19.4 t80 -67.42 -43.69 80.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.722 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 2.6 tt0 -58.53 -53.93 52.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.25 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -68.17 -46.72 69.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.36 -43.36 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.419 HG22 ' CD2' ' A' ' 26' ' ' PHE . 48.5 t -72.12 -43.91 65.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -63.45 -46.48 86.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 110.79 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -64.18 -44.66 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.386 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.512 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 5.1 t80 -67.8 -47.68 68.41 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.512 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 40.8 m-85 -74.22 -32.81 63.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -30.42 63.75 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.104 0.478 . . . . 0.0 110.734 178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.54 -18.38 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.912 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -105.99 -21.74 13.07 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.45 13.92 1.81 Allowed Glycine 0 CA--C 1.521 0.406 0 C-N-CA 120.166 -1.016 . . . . 0.0 114.021 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.3 t -89.12 143.31 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 117.294 0.547 . . . . 0.0 110.83 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.85 -179.49 8.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.996 0.427 . . . . 0.0 111.245 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.98 -145.11 18.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.404 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -147.78 154.81 40.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.378 . . . . 0.0 111.034 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.435 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 89.8 m95 -74.05 118.68 17.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.182 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.0 p -110.38 141.51 43.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.527 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.22 141.16 52.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.479 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.28 160.95 31.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.009 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -65.67 127.45 31.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.565 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.55 144.05 27.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.794 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -140.77 156.35 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.287 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -121.81 123.73 42.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.019 0.437 . . . . 0.0 111.283 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -106.93 131.05 54.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.405 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -80.56 119.44 23.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -94.51 124.0 38.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.354 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.98 156.04 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.424 . . . . 0.0 111.196 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.6 m -149.54 -67.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.904 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -89.27 122.53 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.457 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.436 ' CD2' ' CD2' ' A' ' 26' ' ' PHE . 41.7 m-85 -110.35 135.2 51.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.483 0.658 . . . . 0.0 112.308 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -106.53 132.68 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.729 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.24 127.44 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.971 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 22.2 mt -98.43 125.25 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.366 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.419 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mp -134.34 114.79 13.34 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -91.78 107.61 19.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 111.056 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.99 58.03 0.89 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.596 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -159.78 78.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.04 152.12 43.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.681 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 mt -101.29 76.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -114.53 92.35 3.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.71 -135.8 3.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.638 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 60.27 35.18 20.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.82 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 15.1 t 44.37 35.75 1.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.893 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 19.3 m -94.1 -47.3 6.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.628 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 20.4 p 54.31 -174.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.537 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 62.73 119.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.446 ' O ' HG21 ' B' ' 21' ' ' VAL . . . -172.29 58.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.446 HG21 ' O ' ' B' ' 20' ' ' ALA . 5.2 m 44.43 72.98 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.469 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' B' ' 25' ' ' THR . 2.0 m-20 -101.92 145.17 29.62 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.825 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.66 -43.89 47.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.126 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.27 -29.47 69.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.383 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 75.0 m -62.76 -39.82 95.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.439 ' CD2' ' CD2' ' A' ' 3' ' ' TYR . 19.4 t80 -67.44 -43.9 80.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.723 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.431 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 2.6 tt0 -58.32 -53.95 52.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.365 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -68.19 -46.72 69.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.34 -43.27 98.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' B' ' 26' ' ' PHE . 48.9 t -72.18 -43.93 65.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -63.54 -46.35 86.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -64.21 -44.58 91.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.453 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 5.2 t80 -67.8 -47.72 68.29 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 40.7 m-85 -74.27 -32.74 63.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.85 -30.52 63.88 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.029 0.442 . . . . 0.0 110.694 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -61.52 -18.42 59.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.898 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -105.92 -21.91 13.04 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.68 13.66 1.8 Allowed Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.975 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.2 t -88.96 143.35 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.331 0.565 . . . . 0.0 110.877 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -157.85 -179.34 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.76 -144.9 18.14 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.403 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -147.97 154.7 40.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.918 0.39 . . . . 0.0 111.005 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.431 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 89.7 m95 -73.83 118.6 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.5 p -110.36 141.52 43.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.398 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -70.25 140.99 52.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.394 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.08 160.99 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -65.63 127.3 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.14 143.6 26.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.671 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.9 m -140.63 156.31 46.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.276 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -121.72 123.93 43.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.461 . . . . 0.0 111.359 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 54.6 m -107.13 130.99 54.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.409 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -80.57 119.44 23.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.377 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 87.6 m -94.52 124.03 38.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.86 156.13 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 111.202 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 43.2 m -149.66 -67.66 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.872 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.762 0.315 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.3 122.61 32.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.445 ' CD2' ' CD2' ' D' ' 26' ' ' PHE . 41.7 m-85 -110.46 135.28 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.389 0.614 . . . . 0.0 112.438 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -106.52 132.57 52.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.21 127.51 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 22.6 mt -98.45 125.21 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.428 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.9 mp -134.35 114.92 13.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -91.74 112.04 23.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 111.279 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.74 79.01 1.45 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.443 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -80.61 144.83 32.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 11.1 t -159.2 107.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 53.1 mt -143.18 161.91 37.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.92 109.24 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.65 -48.16 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.301 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 60.12 35.83 21.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.738 0.304 . . . . 0.0 111.178 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 12.5 m -103.76 88.94 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.815 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 6.8 p 57.84 -176.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 22.1 p 54.39 81.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -176.0 102.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.72 -44.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.61 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 12.2 m -80.89 68.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.068 0.461 . . . . 0.0 111.326 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' C' ' 25' ' ' THR . 1.9 m-20 -102.29 145.63 29.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.186 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.36 -43.78 44.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.031 179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.54 -29.54 68.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.302 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 71.6 m -62.7 -39.87 95.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.428 ' CD2' ' CD2' ' D' ' 3' ' ' TYR . 19.4 t80 -67.33 -43.85 80.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.804 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.43 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 2.6 tt0 -58.35 -53.96 52.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.347 -179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -68.22 -46.66 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.31 -43.31 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' C' ' 26' ' ' PHE . 48.7 t -72.13 -43.93 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.51 -46.37 86.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -64.34 -44.65 90.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.341 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.506 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 5.1 t80 -67.65 -47.72 68.74 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 40.2 m-85 -74.37 -32.74 62.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -30.48 63.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.05 0.452 . . . . 0.0 110.703 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.58 -18.35 58.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.87 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -105.89 -21.95 13.04 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.54 13.91 1.8 Allowed Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.959 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 25.2 t -89.16 143.37 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.323 0.561 . . . . 0.0 110.794 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.92 -179.43 8.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.81 -145.14 18.2 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.407 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -147.8 154.73 40.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.895 0.379 . . . . 0.0 111.073 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . 0.43 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 89.7 m95 -73.81 118.64 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -110.44 141.48 43.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.451 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -70.19 141.07 52.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.484 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.25 161.01 31.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.989 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.8 127.48 32.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.53 143.77 28.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.764 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 6.7 m -140.57 156.37 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.23 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -121.74 123.89 42.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 0.0 111.309 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -107.03 130.95 54.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.347 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.48 119.42 23.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.349 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 86.4 m -94.36 124.02 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.395 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.99 156.14 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.945 0.402 . . . . 0.0 111.2 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 44.9 m -149.73 -67.53 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.88 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.804 0.335 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -89.29 122.52 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.428 ' CD2' ' CD2' ' C' ' 26' ' ' PHE . 41.4 m-85 -110.39 135.22 51.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.397 0.617 . . . . 0.0 112.32 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -106.57 132.63 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.705 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.2 127.53 17.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 22.5 mt -98.46 125.21 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.345 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.9 mp -134.34 114.71 13.25 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -93.25 112.12 23.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.707 0.289 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.97 43.94 1.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.664 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -119.66 154.5 33.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.397 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -125.11 90.0 3.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.663 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tp -98.35 153.54 18.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.152 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -64.08 105.53 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.62 -117.92 0.42 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -127.78 32.12 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 14.1 m -97.12 123.79 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.788 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 -51.9 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -99.63 175.22 5.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.113 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -167.37 92.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.803 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.53 -32.6 9.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.177 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 m -79.06 68.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.144 0.497 . . . . 0.0 110.822 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.431 ' O ' ' HB ' ' D' ' 25' ' ' THR . 1.9 m-20 -102.02 145.51 29.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.143 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.36 -43.82 44.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.114 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.46 68.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.382 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 75.0 m -62.59 -40.03 95.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.445 ' CD2' ' CD2' ' C' ' 3' ' ' TYR . 19.3 t80 -67.28 -43.8 80.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.723 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . 0.438 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 2.6 tt0 -58.31 -53.98 52.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.294 -179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -68.32 -46.64 69.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.43 -43.29 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' D' ' 26' ' ' PHE . 48.6 t -72.19 -43.77 65.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.67 -46.28 86.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -64.26 -44.58 91.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.433 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.513 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 5.2 t80 -67.83 -47.71 68.23 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.513 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 40.5 m-85 -74.25 -32.75 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -30.34 63.91 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.011 0.434 . . . . 0.0 110.751 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.69 -18.28 58.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.946 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -105.88 -21.95 13.04 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.66 13.76 1.79 Allowed Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.134 -1.031 . . . . 0.0 113.936 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 25.0 t -89.04 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.354 0.577 . . . . 0.0 110.861 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.81 -179.23 7.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 111.219 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.68 -145.05 18.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -147.88 154.68 40.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 110.978 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . 0.438 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 89.7 m95 -73.86 118.68 17.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.198 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -110.35 141.53 43.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.412 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -70.21 141.15 52.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.511 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.17 160.94 31.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.993 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -65.67 127.33 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.36 144.0 26.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.775 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -140.85 156.27 46.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.284 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -121.68 123.89 42.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.004 0.43 . . . . 0.0 111.3 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -107.12 130.91 54.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.443 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -80.36 119.45 23.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.391 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.9 m -94.51 124.05 38.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.4 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.97 156.02 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 111.152 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 43.1 m -149.5 -67.63 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.863 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.35 124.4 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.423 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -108.96 125.84 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.22 0.533 . . . . 0.0 111.945 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -106.65 120.99 43.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.503 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.18 129.36 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.726 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.448 HG23 HD12 ' A' ' 6' ' ' ILE . 33.1 mt -92.69 117.13 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.886 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.427 HD11 ' CE1' ' B' ' 34' ' ' PHE . 5.5 tp -134.44 111.87 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.795 0.331 . . . . 0.0 111.013 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -154.59 -48.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.52 75.16 1.24 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.55 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -96.62 129.99 43.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 t -109.76 157.91 18.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.1 34.17 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp 63.16 122.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 145.2 -161.71 28.15 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.559 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -70.05 122.05 18.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -81.54 -48.99 11.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.818 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m 67.92 -68.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.237 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -169.4 132.62 1.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.953 0.406 . . . . 0.0 111.266 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -167.95 145.87 4.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.568 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -167.23 42.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.287 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 m -93.05 83.51 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.935 0.398 . . . . 0.0 111.056 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.42 ' O ' ' HB ' ' A' ' 25' ' ' THR . 8.1 t70 -102.43 142.33 33.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.384 0.611 . . . . 0.0 111.672 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.51 -42.14 67.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.17 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.31 -32.17 73.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 30.9 m -62.89 -36.26 82.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.118 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -64.72 -47.22 79.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.789 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.98 -49.51 77.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.875 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.0 -49.91 63.87 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.408 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 62.3 t -63.93 -43.3 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -69.76 -45.54 77.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.055 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -65.11 -44.83 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.016 0.436 . . . . 0.0 110.572 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -64.8 -43.67 92.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.424 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 4.7 t80 -67.23 -46.72 72.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CE1' HD11 ' B' ' 7' ' ' LEU . 30.5 m-85 -78.33 -32.01 48.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -29.27 39.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 111.061 179.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -61.53 -17.34 54.42 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.961 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -103.69 -19.08 14.45 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.53 15.43 2.21 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.197 -1.001 . . . . 0.0 113.914 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.3 t -89.16 143.26 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 117.128 0.464 . . . . 0.0 110.873 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -154.54 -178.87 7.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.416 . . . . 0.0 111.169 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.31 -144.32 18.0 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.286 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.48 156.77 42.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -73.19 119.36 17.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -112.73 140.22 47.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.602 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -71.87 146.25 48.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.725 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.69 155.77 40.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -67.02 137.2 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 137.36 45.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.08 0.467 . . . . 0.0 111.767 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.3 m -132.29 156.49 46.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.579 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 147.21 41.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.937 0.399 . . . . 0.0 111.138 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -141.01 125.36 17.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.181 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.34 117.31 21.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.482 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.2 m -92.57 123.4 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.257 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.67 155.97 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 111.072 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.4 m -147.93 -70.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.918 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.34 124.45 33.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -108.94 125.9 52.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.224 0.535 . . . . 0.0 111.967 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -106.65 120.86 43.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.495 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.09 129.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.03 0.443 . . . . 0.0 111.629 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.437 HD12 HG23 ' B' ' 6' ' ' ILE . 33.7 mt -92.66 117.18 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.87 179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.424 HD11 ' CE1' ' A' ' 34' ' ' PHE . 5.5 tp -134.53 111.81 10.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.371 . . . . 0.0 110.992 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -154.71 -47.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.034 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.38 70.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.331 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.08 88.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.74 0.305 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -66.32 163.23 18.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.75 -32.9 52.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -143.98 124.76 14.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.12 -93.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 62.57 37.13 13.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 13.2 m -97.08 -48.08 5.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.801 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -75.45 148.55 38.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 33.1 p -87.75 156.12 19.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.042 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.26 177.62 9.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.665 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.18 25.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.746 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -93.21 83.0 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 0.0 111.24 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.406 ' O ' ' HB ' ' B' ' 25' ' ' THR . 8.1 t70 -102.31 142.27 33.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.281 0.562 . . . . 0.0 111.73 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.57 -41.99 67.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.269 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.35 -32.2 73.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 30.2 m -63.0 -36.1 82.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.126 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -64.77 -47.27 78.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.768 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.97 -49.49 77.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.884 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.02 -49.86 63.93 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 63.1 t -64.06 -43.25 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -69.84 -45.48 76.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.367 -0.378 . . . . 0.0 112.005 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -65.15 -44.82 87.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 110.566 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -64.78 -43.6 92.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.541 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 4.7 t80 -67.29 -46.74 72.68 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.427 ' CE1' HD11 ' A' ' 7' ' ' LEU . 30.6 m-85 -78.24 -31.95 49.46 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -29.26 40.53 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.95 0.405 . . . . 0.0 111.07 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -61.61 -17.33 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.93 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -103.72 -18.93 14.49 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.35 15.5 2.24 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.903 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 28.7 t -89.11 143.21 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.169 0.485 . . . . 0.0 110.892 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -154.63 -178.95 7.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.402 . . . . 0.0 111.22 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.42 -144.36 17.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.239 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -149.43 156.71 42.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -73.1 119.39 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -112.74 140.23 47.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.611 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.88 146.3 47.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.721 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.76 155.72 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -66.94 137.1 56.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.629 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.73 137.3 44.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.014 0.435 . . . . 0.0 111.798 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.1 m -132.29 156.46 46.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.673 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.78 147.39 41.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.971 0.415 . . . . 0.0 111.133 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 42.3 m -141.1 125.35 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.201 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.34 117.32 21.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.507 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -92.47 123.34 35.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.341 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.68 156.19 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 111.047 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.5 m -148.1 -69.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.977 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.936 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.781 0.325 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.3 124.46 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.34 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -109.07 125.85 52.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.361 0.601 . . . . 0.0 111.965 -179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -106.67 120.86 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.51 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.07 129.38 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.647 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . 0.427 HG23 HD12 ' C' ' 6' ' ' ILE . 34.3 mt -92.78 117.19 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.831 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' D' ' 34' ' ' PHE . 5.5 tp -134.5 111.77 10.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.015 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -153.7 -46.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.76 40.66 2.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.684 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -174.83 120.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 111.057 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 17.5 p -134.41 107.33 7.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 61.53 104.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 tttp 62.53 149.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.93 -173.95 42.94 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -133.51 -179.83 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 4.2 t -79.57 82.85 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.07 157.81 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -105.51 143.34 33.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.716 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -110.97 -178.02 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.258 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.7 -32.44 62.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.631 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 m -88.26 82.26 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.006 0.431 . . . . 0.0 110.779 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.417 ' O ' ' HB ' ' C' ' 25' ' ' THR . 8.1 t70 -102.36 142.13 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.587 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.34 -42.05 66.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.161 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.21 73.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 32.1 m -62.9 -36.25 82.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.122 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -64.64 -47.31 79.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.861 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.93 -49.49 77.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.878 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.07 -49.82 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 63.2 t -64.04 -43.33 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -69.76 -45.46 77.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.055 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . 0.406 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 76.8 tttt -65.17 -44.86 87.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.517 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -64.7 -43.6 92.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.594 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 4.7 t80 -67.34 -46.77 72.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.427 ' CE1' HD11 ' D' ' 7' ' ' LEU . 30.4 m-85 -78.25 -31.92 49.41 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -53.88 -29.25 40.76 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.113 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -61.53 -17.37 54.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.899 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -103.72 -18.91 14.5 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.41 15.5 2.23 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.913 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 28.5 t -89.15 143.14 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 117.142 0.471 . . . . 0.0 110.841 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -154.59 -178.79 7.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.944 0.402 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.25 -144.37 18.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.216 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.47 156.65 42.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.381 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -73.09 119.37 17.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 80.7 p -112.7 140.1 47.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.582 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.84 146.34 48.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.708 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.81 155.75 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.96 137.14 56.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.626 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 137.2 45.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.801 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -132.2 156.49 46.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.583 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 147.34 41.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.025 0.44 . . . . 0.0 111.085 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 41.5 m -141.15 125.35 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.152 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -81.26 117.37 21.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.552 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 87.4 m -92.55 123.37 35.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.221 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.62 156.23 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 67.4 m -148.13 -70.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.885 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.807 0.337 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.33 124.43 33.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -108.99 125.9 52.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.227 0.537 . . . . 0.0 111.96 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -106.69 120.98 43.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.508 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.15 129.32 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.438 . . . . 0.0 111.684 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 33.3 mt -92.66 117.22 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.965 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.427 HD11 ' CE1' ' C' ' 34' ' ' PHE . 5.5 tp -134.5 111.83 10.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.339 . . . . 0.0 111.031 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -154.29 -48.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.44 168.41 36.5 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.591 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 146.05 26.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.367 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m 62.27 148.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -93.39 -53.09 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -104.95 111.1 23.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.783 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.93 -176.58 39.94 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.398 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -140.23 83.81 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 33.1 m -104.7 121.4 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.767 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -65.74 -58.12 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -65.42 126.32 27.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.157 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -121.82 -177.19 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.34 -49.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.37 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 8.6 m -90.79 84.03 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.665 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.415 ' O ' ' HB ' ' D' ' 25' ' ' THR . 7.9 t70 -102.41 142.19 34.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.386 0.612 . . . . 0.0 111.76 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.54 -42.02 67.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.172 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.29 73.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 32.7 m -62.79 -36.23 82.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.191 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -64.77 -47.19 79.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.793 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.03 -49.5 77.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.811 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -66.97 -49.95 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 62.5 t -63.9 -43.35 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.74 -45.61 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.022 -178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . 0.407 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 76.8 tttt -65.11 -44.87 87.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.921 0.391 . . . . 0.0 110.493 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -64.69 -43.64 92.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.516 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 4.7 t80 -67.36 -46.64 72.74 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' C' ' 7' ' ' LEU . 30.4 m-85 -78.33 -31.94 48.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 0.9 OUTLIER -53.84 -29.25 40.2 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 179.074 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -61.54 -17.26 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.991 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -103.83 -18.93 14.45 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.41 15.51 2.22 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.241 -0.981 . . . . 0.0 113.914 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 28.6 t -89.19 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 117.205 0.502 . . . . 0.0 110.873 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -154.52 -178.77 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.199 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.25 -144.4 18.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.304 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.41 156.65 42.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -73.09 119.38 17.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.0 p -112.68 140.13 47.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.61 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.8 146.32 48.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.71 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.83 155.75 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.98 137.2 56.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.78 137.09 45.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.782 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -132.13 156.41 46.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.89 147.29 41.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.964 0.412 . . . . 0.0 111.145 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 42.9 m -141.09 125.4 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.156 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -81.32 117.36 21.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.478 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -92.6 123.42 35.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.252 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.73 156.11 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 111.029 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.5 m -147.99 -70.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.984 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.983 0.42 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -95.6 127.42 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.482 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.41 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 36.0 m-85 -107.93 130.99 54.99 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.273 0.559 . . . . 0.0 112.339 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -107.18 124.26 49.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.855 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.23 125.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.304 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -95.9 117.17 39.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.523 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.98 125.47 49.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.961 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -156.21 113.82 3.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.149 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.29 44.61 2.46 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.863 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mttp 60.55 172.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 111.294 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.16 179.17 5.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -30.0 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.077 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -92.39 117.22 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.182 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.5 -106.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -138.4 142.18 39.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 111.003 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.6 t 46.19 -173.04 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.975 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -158.05 -179.5 8.19 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.369 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 19' ' ' GLU . 2.8 p 67.78 -63.82 0.3 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.245 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' N ' ' OG1' ' A' ' 18' ' ' THR . 2.1 mm-40 58.69 177.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.339 . . . . 0.0 111.185 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.45 -35.59 9.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.36 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.87 66.08 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.382 0.611 . . . . 0.0 110.618 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -102.8 147.63 26.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.278 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.47 -43.04 64.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.148 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.33 74.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.999 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.2 m -62.72 -38.95 92.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.212 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' B' ' 3' ' ' TYR . 72.5 t80 -64.19 -51.39 63.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.852 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -55.62 -49.39 72.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.842 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -67.65 -48.79 65.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 59.5 t -64.38 -43.48 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.1 t -68.4 -43.84 83.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.67 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -65.87 -44.68 84.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.897 0.379 . . . . 0.0 110.787 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.23 -41.6 94.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.324 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 3.8 t80 -68.46 -48.88 63.36 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.405 ' CZ ' ' CE2' ' A' ' 33' ' ' PHE . 26.6 m-85 -77.55 -30.76 52.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.2 -28.1 50.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.949 0.404 . . . . 0.0 111.043 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.11 -17.33 52.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.066 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 34' ' ' PHE . 12.3 p30 -104.47 -15.75 15.28 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.61 16.62 2.48 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.641 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.5 t -89.4 143.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 117.084 0.442 . . . . 0.0 111.099 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -155.81 -178.93 7.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.23 -144.29 18.01 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.318 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -150.34 157.38 43.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -74.05 116.14 14.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.103 0.478 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.0 p -109.71 140.97 42.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.64 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -71.6 142.52 49.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.776 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 160.04 33.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.71 134.76 52.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.62 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.28 139.75 41.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.088 0.47 . . . . 0.0 111.874 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.2 m -130.01 156.42 44.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.692 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -125.45 119.79 29.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.975 0.417 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.9 m -109.97 130.79 55.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.453 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -80.63 115.05 19.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.383 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -89.69 123.17 33.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.352 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.34 155.05 7.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 111.101 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 m -147.1 -69.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.895 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.925 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.0 mmm . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.925 0.393 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -95.59 127.63 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.402 179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.411 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 36.4 m-85 -108.13 130.81 55.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.249 0.547 . . . . 0.0 112.435 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -107.01 124.09 49.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.957 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.18 125.32 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 mt -95.71 117.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.6 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.11 125.61 49.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.915 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -155.99 113.91 3.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.876 0.37 . . . . 0.0 111.456 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.27 -31.69 81.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt 59.04 101.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.34 104.55 7.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.87 32.63 2.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.287 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -173.71 152.81 2.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.05 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.88 153.59 52.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.853 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 57.79 87.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 111.269 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 32.4 m -111.63 -64.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.679 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.4 p 52.34 -169.23 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.553 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t 47.19 -174.8 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.007 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 59.73 163.48 0.05 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.024 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.7 25.73 0.18 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.873 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 p -79.49 65.61 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.265 0.555 . . . . 0.0 110.43 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -102.77 147.66 26.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.166 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.28 -43.15 64.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.149 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.58 -33.47 75.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 17.4 m -62.69 -39.02 92.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.205 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' A' ' 3' ' ' TYR . 72.8 t80 -64.23 -51.12 65.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.836 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -55.92 -49.25 73.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.824 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -67.74 -48.69 65.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 59.9 t -64.51 -43.35 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -68.55 -43.63 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.615 -179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -65.92 -44.8 84.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.748 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -65.19 -41.44 94.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.4 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 3.8 t80 -68.57 -48.91 63.01 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.411 ' CZ ' ' CE2' ' B' ' 33' ' ' PHE . 26.9 m-85 -77.54 -30.68 52.91 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.23 -28.24 51.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.967 0.413 . . . . 0.0 111.062 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -60.93 -17.42 51.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.142 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -104.59 -15.66 15.24 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.54 16.75 2.48 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.348 -0.929 . . . . 0.0 113.616 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 20.6 t -89.55 143.22 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 117.12 0.46 . . . . 0.0 111.14 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.73 -178.55 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.95 -144.47 18.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.207 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -150.35 157.38 42.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.811 0.339 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -74.1 116.24 14.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.173 0.511 . . . . 0.0 111.107 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 49.3 p -109.91 140.97 43.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.574 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.51 142.5 50.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.792 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 159.79 33.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.974 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.37 134.22 52.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.79 139.84 38.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 111.91 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 11.1 m -130.19 156.52 44.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.851 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -125.45 119.86 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 29.4 m -110.02 130.81 55.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.525 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -80.7 115.07 20.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.338 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -89.62 123.24 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.437 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.34 155.25 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.925 0.393 . . . . 0.0 111.065 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.5 m -147.34 -69.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.981 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmm . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.974 0.416 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -95.68 127.55 41.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.438 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.416 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 36.3 m-85 -108.02 130.89 55.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.31 0.576 . . . . 0.0 112.314 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -107.04 124.01 49.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.05 125.38 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.269 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 37.0 mt -95.84 117.16 39.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.491 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.02 125.37 49.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.078 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -155.05 108.14 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.708 0.29 . . . . 0.0 111.057 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.99 75.98 2.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.206 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -72.76 151.06 42.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 111.229 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 6.0 p -90.39 101.89 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.556 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.47 160.48 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -102.59 119.58 39.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.42 -72.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.394 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -169.51 36.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -67.99 133.5 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.33 -43.84 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 49.8 p -137.68 178.29 7.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -102.01 172.87 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -151.55 -49.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.931 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.92 65.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.355 0.598 . . . . 0.0 111.452 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -102.86 147.74 26.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.987 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.43 -43.2 64.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.177 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.22 74.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 16.9 m -62.92 -38.95 93.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.195 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' D' ' 3' ' ' TYR . 73.0 t80 -64.25 -51.1 65.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.791 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -55.8 -49.4 73.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.829 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -67.73 -48.53 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' C' ' 33' ' ' PHE . 58.7 t -64.46 -43.5 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.6 t -68.49 -43.62 83.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.658 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -66.06 -44.68 83.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.766 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -65.25 -41.4 94.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.315 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.42 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 3.8 t80 -68.54 -49.09 62.18 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.41 ' CZ ' ' CE2' ' C' ' 33' ' ' PHE . 26.8 m-85 -77.44 -30.82 53.55 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -28.19 51.16 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 122.019 -0.426 . . . . 0.0 111.031 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.91 -17.52 51.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.105 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -104.58 -15.45 15.31 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.43 16.62 2.52 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.298 -0.954 . . . . 0.0 113.667 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 21.1 t -89.48 143.11 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 117.086 0.443 . . . . 0.0 111.045 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -155.8 -179.39 8.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.73 -144.17 17.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.209 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -150.48 157.48 43.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -74.18 116.22 14.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 49.9 p -109.9 140.97 43.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.69 142.44 49.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.745 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.2 160.0 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.88 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.67 134.54 52.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.482 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.23 140.19 39.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.961 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 10.3 m -130.36 156.53 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.67 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -125.51 119.66 28.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.402 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -109.87 130.67 55.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -80.69 115.23 20.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.401 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -89.82 123.28 33.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.408 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.41 155.19 7.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 65.5 m -147.34 -69.26 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.888 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mmm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.905 0.384 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -95.76 127.35 41.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.51 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.415 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.6 m-85 -107.93 130.85 55.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.219 0.533 . . . . 0.0 112.336 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -107.04 124.11 49.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.911 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.09 125.48 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.239 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 mt -95.9 117.15 39.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.584 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.08 125.74 49.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.983 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -156.4 110.91 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 0.0 111.276 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.8 100.79 2.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.194 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 mttm 60.96 106.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.778 0.323 . . . . 0.0 110.587 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -63.49 123.38 18.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.217 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tp 60.71 66.6 0.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.151 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -176.63 97.79 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.22 85.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.416 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -127.58 142.92 51.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.935 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 8.5 t -61.93 107.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 50.5 p -123.54 178.77 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.31 102.26 11.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 57.55 101.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . 0.474 ' O ' HG12 ' D' ' 21' ' ' VAL . . . -151.47 56.24 0.87 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.489 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . 0.474 HG12 ' O ' ' D' ' 20' ' ' ALA . 6.4 p 42.97 72.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.753 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -102.6 146.99 27.35 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.018 -179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.57 -43.38 65.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.179 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.4 75.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 17.1 m -62.8 -38.82 92.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.202 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' C' ' 3' ' ' TYR . 72.9 t80 -64.34 -51.23 64.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.877 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -55.63 -49.4 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.867 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -67.78 -48.67 65.71 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . 0.417 ' O ' ' HB3' ' D' ' 33' ' ' PHE . 60.1 t -64.32 -43.42 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -68.48 -43.88 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.59 -179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -65.86 -44.77 84.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.915 0.388 . . . . 0.0 110.728 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -65.2 -41.37 94.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.333 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.417 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 3.8 t80 -68.53 -48.93 63.06 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.411 ' CZ ' ' CE2' ' D' ' 33' ' ' PHE . 26.9 m-85 -77.58 -30.87 52.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.07 -28.18 50.41 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.978 0.418 . . . . 0.0 111.101 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -60.98 -17.42 51.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.059 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -104.61 -15.66 15.23 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.58 16.56 2.5 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 120.289 -0.957 . . . . 0.0 113.591 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 20.6 t -89.32 143.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 117.07 0.435 . . . . 0.0 111.124 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -155.87 -179.11 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.195 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.41 -144.34 17.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.21 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -150.3 157.27 42.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -74.0 116.26 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.098 0.475 . . . . 0.0 111.026 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -109.9 141.17 43.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.563 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -71.77 142.59 49.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.807 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.31 159.98 33.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.866 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.44 134.22 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.55 139.26 38.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 111.848 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 10.6 m -129.8 156.54 44.17 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.729 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -125.7 119.57 28.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.931 0.396 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 28.9 m -109.82 130.76 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.69 115.29 20.12 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.413 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -89.78 123.39 33.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.399 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.54 155.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.886 0.374 . . . . 0.0 111.085 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 67.0 m -147.26 -69.25 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.775 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.009 179.971 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.896 0.379 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -89.94 123.71 34.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.543 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.408 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.5 m-85 -110.3 132.35 54.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.457 0.646 . . . . 0.0 112.192 -179.56 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -106.4 126.19 51.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.758 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.25 121.64 9.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.05 117.16 38.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.68 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.42 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -105.18 124.18 49.1 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -153.38 -64.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.026 0.441 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.58 -41.69 1.41 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.593 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt 59.67 105.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.653 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.8 p -80.53 159.63 25.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.303 -179.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -115.07 -176.18 2.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.695 179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -98.24 42.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.01 -84.84 0.25 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.476 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -175.4 108.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -103.73 -60.41 1.57 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 m 67.36 -69.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.179 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -67.25 174.23 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 111.016 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pm0 -107.81 154.86 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.88 -67.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.1 t -98.35 92.37 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.851 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.513 ' O ' ' HB ' ' A' ' 25' ' ' THR . 14.9 t70 -101.73 137.89 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.124 -178.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.08 -41.68 17.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.278 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.54 66.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 179.61 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.513 ' HB ' ' O ' ' A' ' 22' ' ' ASP . 38.2 m -61.25 -38.23 85.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.425 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' CD1' HD11 ' A' ' 7' ' ' LEU . 30.8 t80 -69.43 -49.47 54.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.753 178.639 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -53.37 -52.29 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.953 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -66.15 -48.9 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.414 HG23 ' CZ ' ' B' ' 33' ' ' PHE . 66.2 t -62.55 -41.08 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.26 -45.46 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -63.65 -45.56 89.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.022 0.439 . . . . 0.0 110.403 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.06 -46.74 86.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.153 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.529 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 5.0 t80 -67.44 -46.39 73.25 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.529 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 35.1 m-85 -74.53 -33.05 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -31.1 61.99 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.846 178.503 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -61.9 -18.57 60.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.059 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -105.46 -21.46 13.21 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.57 14.93 1.85 Allowed Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.071 -1.062 . . . . 0.0 114.099 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -89.68 143.17 11.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 117.333 0.566 . . . . 0.0 110.854 179.556 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -155.08 -177.52 6.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.911 0.386 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.58 -145.08 18.5 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.341 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -149.07 156.39 42.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.343 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -72.76 117.76 14.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.459 . . . . 0.0 111.239 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.3 p -110.26 139.67 45.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.436 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.24 142.84 52.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.861 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.84 158.27 36.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.63 130.3 42.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.494 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 142.22 29.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.823 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.57 156.41 46.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.504 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -127.64 124.03 37.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.105 0.479 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.74 134.19 50.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.207 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -80.87 118.04 22.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.542 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.5 m -91.88 121.32 33.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.341 179.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.93 156.7 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.033 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.6 m -148.17 -72.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.021 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.926 0.393 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.03 123.73 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.608 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.409 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.6 m-85 -110.27 132.27 54.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.419 0.628 . . . . 0.0 112.102 -179.382 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -106.39 126.17 51.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.799 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.26 121.63 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 mt -95.22 117.18 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.679 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.412 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.4 OUTLIER -104.96 124.08 48.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.945 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -154.27 -70.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.066 0.46 . . . . 0.0 111.172 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.42 -31.02 3.7 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.427 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt 62.09 118.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -141.51 145.07 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -167.96 -43.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -168.28 59.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.69 123.03 1.71 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.529 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 142.03 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.3 t -63.66 134.75 55.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -139.78 -55.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.6 t -161.34 45.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -137.69 114.9 10.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.702 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -150.4 83.34 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.419 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 18.2 t -94.52 90.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.991 0.424 . . . . 0.0 110.549 179.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.523 ' O ' ' HB ' ' B' ' 25' ' ' THR . 15.1 t70 -101.66 137.91 39.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.973 -178.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.0 -41.64 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.164 179.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -27.59 66.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.29 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' B' ' 22' ' ' ASP . 37.4 m -61.19 -38.26 85.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.358 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . 0.412 ' CD1' HD11 ' B' ' 7' ' ' LEU . 31.2 t80 -69.43 -49.55 54.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.742 178.677 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.33 -52.28 59.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.996 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -66.04 -49.01 69.16 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.408 HG23 ' CZ ' ' A' ' 33' ' ' PHE . 67.5 t -62.56 -41.1 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.27 -45.57 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.404 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 67.3 tttt -63.54 -45.61 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.057 0.456 . . . . 0.0 110.42 179.578 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.0 -46.8 85.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.15 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 5.0 t80 -67.42 -46.32 73.51 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.525 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 34.6 m-85 -74.68 -33.04 62.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -55.68 -30.98 61.99 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 178.587 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -61.97 -18.49 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.016 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -105.47 -21.55 13.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.59 14.99 1.84 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.056 -1.069 . . . . 0.0 114.032 179.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 t -89.66 143.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 117.372 0.586 . . . . 0.0 110.793 179.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -155.18 -177.67 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.71 -145.0 18.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.257 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -149.06 156.48 42.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.374 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -72.8 117.72 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.209 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 80.0 p -110.29 139.64 45.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.457 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.27 142.77 52.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.85 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.83 158.34 36.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.57 130.39 43.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.551 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.96 142.19 30.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 111.828 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.38 156.3 47.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.488 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -127.58 123.93 36.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.108 0.48 . . . . 0.0 111.391 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -106.67 134.17 50.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.181 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.03 118.08 22.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 111.46 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 94.2 m -91.68 121.37 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.309 179.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.6 t -71.19 156.82 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.997 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 90.9 m -148.27 -72.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.967 179.991 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.861 0.362 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.04 123.74 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.51 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 3' ' ' TYR . . . . . 0.408 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.7 m-85 -110.22 132.29 54.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.421 0.629 . . . . 0.0 112.169 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -106.4 126.27 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.746 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.3 121.68 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mt -95.2 117.24 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.655 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.4 OUTLIER -105.08 124.2 49.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.841 178.875 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -154.07 -66.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.461 . . . . 0.0 110.951 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.72 -129.2 24.5 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.446 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 47.5 mttt 60.34 168.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.842 0.354 . . . . 0.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 37.2 p -96.01 145.7 25.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -92.06 -70.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.784 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -137.84 93.06 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.38 -130.26 10.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.681 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 62.59 147.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 111.063 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -106.86 30.55 6.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.74 174.38 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.688 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -132.0 40.88 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -60.92 160.81 9.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.9 57.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 20.7 t -95.91 92.68 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.686 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 22' ' ' ASP . . . . . 0.517 ' O ' ' HB ' ' C' ' 25' ' ' THR . 15.0 t70 -101.71 137.84 39.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.355 0.598 . . . . 0.0 112.148 -178.781 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.02 -41.77 17.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.253 179.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.76 -27.6 66.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.242 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.517 ' HB ' ' O ' ' C' ' 22' ' ' ASP . 37.4 m -61.21 -38.24 85.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.403 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . 0.426 ' CD1' HD11 ' C' ' 7' ' ' LEU . 30.9 t80 -69.43 -49.58 53.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.701 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -53.32 -52.25 59.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.952 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -66.04 -49.11 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 29' ' ' VAL . . . . . 0.414 HG23 ' CZ ' ' D' ' 33' ' ' PHE . 66.5 t -62.52 -41.05 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.28 -45.45 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.246 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -63.61 -45.57 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.993 0.425 . . . . 0.0 110.379 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -63.16 -46.74 85.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.17 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 33' ' ' PHE . . . . . 0.52 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 5.0 t80 -67.34 -46.28 73.87 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 34' ' ' PHE . . . . . 0.52 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 35.1 m-85 -74.57 -33.15 62.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.64 -31.01 61.96 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.013 0.435 . . . . 0.0 110.831 178.585 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.95 -18.44 60.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.099 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -105.49 -21.56 13.19 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.474 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.66 14.87 1.85 Allowed Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.057 -1.068 . . . . 0.0 114.101 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 26.6 t -89.64 143.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 117.362 0.581 . . . . 0.0 110.814 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -155.09 -177.62 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.64 -145.01 18.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.332 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -149.07 156.44 42.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -72.78 117.8 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 79.2 p -110.42 139.77 45.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.403 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.37 142.88 52.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.807 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.85 158.31 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.763 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.58 130.4 43.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.549 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 142.19 29.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.835 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -139.45 156.4 46.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.444 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -127.62 123.88 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.065 0.459 . . . . 0.0 111.466 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -106.73 134.14 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.261 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -80.91 117.96 21.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.677 0.275 . . . . 0.0 111.54 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -91.72 121.29 33.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.275 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 t -70.94 156.88 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 111.065 -179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 90.9 m -148.28 -72.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.984 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.0 123.78 34.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.591 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 3' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.9 m-85 -110.33 132.34 54.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.444 0.64 . . . . 0.0 112.211 -179.558 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -106.47 126.28 52.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.768 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.32 121.56 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.1 117.21 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.637 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.4 OUTLIER -105.19 124.51 49.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.846 178.876 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -153.11 -64.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.402 . . . . 0.0 111.001 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.68 155.16 7.67 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.569 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -63.85 142.24 58.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -84.6 170.82 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.09 37.05 14.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.73 150.14 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.774 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.31 -52.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.634 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 60.17 -179.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.718 0.294 . . . . 0.0 110.793 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 27.6 m -89.16 78.94 7.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 10.0 p 55.88 -173.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.282 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 25.6 p 53.55 79.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.405 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -69.75 168.39 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.69 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.65 -42.69 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.299 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 17.1 t -95.88 91.75 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.822 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 22' ' ' ASP . . . . . 0.518 ' O ' ' HB ' ' D' ' 25' ' ' THR . 15.2 t70 -101.96 137.92 39.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.931 -178.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.11 -41.77 17.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.215 179.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.73 -27.55 66.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 25' ' ' THR . . . . . 0.518 ' HB ' ' O ' ' D' ' 22' ' ' ASP . 36.9 m -61.27 -38.18 85.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.412 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 26' ' ' PHE . . . . . 0.416 ' CD1' HD11 ' D' ' 7' ' ' LEU . 31.2 t80 -69.47 -49.54 53.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.687 178.662 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.36 -52.21 59.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.031 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -66.09 -49.04 68.94 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 29' ' ' VAL . . . . . 0.413 HG23 ' CZ ' ' C' ' 33' ' ' PHE . 65.7 t -62.54 -41.07 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 58.5 t -70.26 -45.61 74.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.259 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -63.47 -45.62 89.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.462 . . . . 0.0 110.47 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -62.97 -46.81 85.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.198 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 33' ' ' PHE . . . . . 0.514 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 5.0 t80 -67.35 -46.43 73.42 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 34' ' ' PHE . . . . . 0.514 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 35.0 m-85 -74.63 -32.98 62.46 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -31.01 62.15 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.765 178.551 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -61.99 -18.42 60.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.066 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -105.6 -21.33 13.22 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.45 15.07 1.86 Allowed Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.065 -1.064 . . . . 0.0 114.131 179.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 26.8 t -89.78 143.18 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 117.36 0.58 . . . . 0.0 110.809 179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -155.05 -177.59 6.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 111.106 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.67 -145.07 18.48 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.342 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -149.17 156.44 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -72.74 117.76 14.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.247 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 80.2 p -110.37 139.64 45.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.438 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.29 142.73 52.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.806 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.79 158.27 36.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.58 130.29 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.82 142.24 29.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.816 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.59 156.38 46.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -127.56 123.98 37.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.532 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.77 134.08 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.206 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -80.94 118.08 22.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.482 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -91.78 121.32 33.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.275 179.18 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 6.4 t -71.0 156.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.018 -179.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 91.3 m -148.23 -72.19 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.883 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 121.023 0.44 . . . . 1.0 111.434 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.6 123.57 35.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.614 -0.721 . . . . 1.77 110.362 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.537 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 36.3 m-85 -108.38 131.02 55.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.377 0.608 . . . . 0.28000000000000003 111.553 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -105.57 125.07 50.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.921 -1.036 . . . . 1.6200000000000001 110.509 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.556 HG12 HD12 ' A' ' 7' ' ' LEU . 17.0 t -142.43 123.94 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.015 0.436 . . . . 0.34000000000000002 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' B' ' 1' ' ' MET . 16.8 mt -92.94 117.42 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.851 -0.613 . . . . 0.48999999999999999 110.547 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.771 HD22 ' HB2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 108.599 -0.889 . . . . 0.93999999999999995 108.599 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' A' ' 25' ' ' THR . 9.4 t0 . . . . . 0 CA--C 1.516 -0.347 0 CA-C-O 121.325 0.583 . . . . 1.6499999999999999 111.067 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.544 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.21 -46.67 65.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.262 -0.881 . . . . 0.31 110.805 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.18 -32.11 73.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.948 -0.569 . . . . 0.34000000000000002 110.729 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.4 m -64.44 -40.65 96.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.868 -0.606 . . . . 0.38 110.913 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.771 ' HB2' HD22 ' A' ' 7' ' ' LEU . 10.8 t80 -65.59 -50.99 63.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.932 -0.576 . . . . 0.37 110.626 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 62.8 mt-10 -54.75 -49.83 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 2.0499999999999998 111.033 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -66.01 -53.17 42.01 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.32 0.489 . . . . 1.79 112.32 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 25' ' ' THR . 63.8 t -64.08 -45.03 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 112.182 0.438 . . . . 0.25 112.182 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 26' ' ' PHE . 44.4 t -68.59 -41.21 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.26000000000000001 111.247 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -70.69 -46.49 63.04 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.76 -0.376 . . . . 1.3899999999999999 110.581 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -63.79 -42.36 97.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.527 -0.306 . . . . 1.8200000000000001 111.122 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 4.7 t80 -64.23 -46.57 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.531 0.567 . . . . 0.29999999999999999 112.531 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.717 ' HZ ' HD21 ' B' ' 7' ' ' LEU . 36.4 m-85 -78.52 -29.96 46.8 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.055 0.761 . . . . 0.56999999999999995 113.055 -178.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -55.34 -30.7 60.77 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.407 0.622 . . . . 0.32000000000000001 110.752 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -59.48 -17.44 31.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.927 -1.033 . . . . 1.1899999999999999 112.022 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' A' ' 39' ' ' VAL . 13.2 p30 -111.04 -2.39 15.92 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.973 0.731 . . . . 1.6299999999999999 112.973 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.32 51.56 1.13 Allowed Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.003 -1.094 . . . . 0.26000000000000001 113.756 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.515 HG23 ' OD1' ' A' ' 37' ' ' ASN . 57.0 t -126.31 139.43 51.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.535 -0.913 . . . . 0.26000000000000001 108.535 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -150.94 -174.47 4.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.406 0.622 . . . . 1.3100000000000001 111.525 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.05 -145.61 18.2 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.068 -0.969 . . . . 0.23999999999999999 112.357 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -148.56 155.16 40.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.095 0.474 . . . . 1.5800000000000001 111.29 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 94.3 m95 -74.05 114.19 12.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.787 -0.642 . . . . 0.33000000000000002 110.788 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.6 p -106.93 143.13 35.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.872 -0.604 . . . . 0.19 110.707 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.38 140.57 50.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.557 -0.747 . . . . 0.27000000000000002 110.551 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.05 160.93 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 1.1399999999999999 110.589 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.29 131.75 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 2.2599999999999998 111.299 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.49 140.34 34.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.186 -0.461 . . . . 0.25 111.473 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.505 HG23 ' HB3' ' D' ' 2' ' ' GLN . 4.5 m -137.26 150.04 47.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.89 -0.596 . . . . 0.28000000000000003 110.817 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -117.85 137.95 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.986 0.422 . . . . 0.84999999999999998 110.581 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.2 m -125.95 133.74 51.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.26000000000000001 110.387 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -80.67 121.94 26.48 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.818 0.342 . . . . 0.32000000000000001 111.616 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.6 m -99.56 123.33 43.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.196 -0.457 . . . . 0.20000000000000001 110.231 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 55' ' ' THR . 19.5 t -69.52 156.39 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.009 0.433 . . . . 0.28000000000000003 110.816 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.446 ' N ' HG12 ' A' ' 54' ' ' VAL . 36.4 m -152.49 -71.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.851 -0.613 . . . . 0.34000000000000002 111.114 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.245 -0.883 . . . . 4.3700000000000001 110.915 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.436 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 121.135 0.493 . . . . 1.0 111.303 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.82 123.71 35.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.518 -0.765 . . . . 1.77 110.358 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.544 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 36.2 m-85 -108.44 131.17 55.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.442 0.639 . . . . 0.28000000000000003 111.575 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -105.79 124.93 50.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.926 -1.034 . . . . 1.6200000000000001 110.642 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.585 HG12 HD12 ' B' ' 7' ' ' LEU . 16.5 t -142.29 123.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.054 0.454 . . . . 0.34000000000000002 111.334 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 1' ' ' MET . 17.4 mt -92.81 117.49 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.594 . . . . 0.48999999999999999 110.594 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.748 HD22 ' HB2' ' B' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.71 -0.848 . . . . 0.93999999999999995 108.71 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' B' ' 25' ' ' THR . 10.8 t0 . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 121.18 0.514 . . . . 1.6499999999999999 109.637 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.537 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.97 -46.54 64.86 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.604 -0.725 . . . . 0.29999999999999999 111.002 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -31.15 71.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.33000000000000002 110.772 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.537 ' O ' HG23 ' B' ' 29' ' ' VAL . 74.7 m -64.34 -40.67 96.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.964 -0.562 . . . . 0.38 110.85 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.748 ' HB2' HD22 ' B' ' 7' ' ' LEU . 10.4 t80 -65.92 -50.42 64.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.759 -0.655 . . . . 0.37 110.691 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.433 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 62.9 mt-10 -55.25 -49.38 72.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 2.04 110.915 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.24 -52.98 42.42 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.345 0.498 . . . . 1.79 112.345 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 25' ' ' THR . 61.7 t -64.15 -45.24 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 112.076 0.398 . . . . 0.25 112.076 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 26' ' ' PHE . 42.8 t -68.38 -41.54 83.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.05 -0.523 . . . . 0.26000000000000001 111.349 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -70.62 -46.26 63.68 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.802 -0.359 . . . . 1.3799999999999999 110.469 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -64.14 -42.89 96.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 1.8200000000000001 111.304 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 4.6 t80 -63.47 -46.88 84.13 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.657 0.614 . . . . 0.29999999999999999 112.657 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.713 ' HZ ' HD21 ' A' ' 7' ' ' LEU . 34.8 m-85 -77.9 -31.37 51.16 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.968 0.729 . . . . 0.56999999999999995 112.968 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -53.57 -32.54 51.29 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.191 0.52 . . . . 0.32000000000000001 110.781 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -58.21 -17.24 17.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 1.1899999999999999 112.178 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.581 ' OD1' HG23 ' B' ' 39' ' ' VAL . 14.1 p30 -110.18 -3.35 16.38 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.849 0.685 . . . . 1.6200000000000001 112.849 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.92 49.72 1.23 Allowed Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.198 -1.001 . . . . 0.26000000000000001 113.464 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.581 HG23 ' OD1' ' B' ' 37' ' ' ASN . 59.7 t -125.17 137.54 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 108.672 -0.862 . . . . 0.26000000000000001 108.672 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -149.91 -174.97 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.302 0.572 . . . . 1.3 111.781 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.55 -145.49 16.94 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.132 -0.94 . . . . 0.23000000000000001 112.171 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -148.58 154.74 40.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.847 0.356 . . . . 1.5700000000000001 111.132 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.433 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 94.0 m95 -73.8 115.39 13.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.33000000000000002 110.845 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -108.06 142.94 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.848 -0.615 . . . . 0.19 110.506 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.15 140.93 50.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.464 -0.789 . . . . 0.27000000000000002 110.697 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.36 160.9 31.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 1.1399999999999999 110.585 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.19 131.93 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.36 . . . . 2.2599999999999998 111.161 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.67 140.85 34.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.46 . . . . 0.26000000000000001 111.416 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.473 HG23 ' HB3' ' C' ' 2' ' ' GLN . 4.2 m -137.71 150.06 47.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 0.28999999999999998 110.806 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -117.86 138.17 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.034 0.445 . . . . 0.84999999999999998 110.614 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 21.7 m -126.18 133.81 51.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.839 -0.619 . . . . 0.26000000000000001 110.363 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -80.79 122.07 26.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.827 0.346 . . . . 0.32000000000000001 111.661 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 41.7 m -99.61 123.52 43.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.213 -0.449 . . . . 0.20999999999999999 110.198 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.449 HG12 ' N ' ' B' ' 55' ' ' THR . 19.5 t -69.61 156.68 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.28000000000000003 110.873 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.449 ' N ' HG12 ' B' ' 54' ' ' VAL . 36.7 m -152.78 -71.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.933 -0.576 . . . . 0.34000000000000002 111.105 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.292 -0.861 . . . . 4.3600000000000003 110.935 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' D' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.053 0.454 . . . . 1.0 111.089 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.473 ' HB3' HG23 ' B' ' 49' ' ' THR . 4.8 tt0 -91.36 124.24 35.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.699 -0.682 . . . . 1.77 110.321 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 3' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -109.22 131.14 55.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.465 0.65 . . . . 0.28000000000000003 111.573 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -105.69 124.97 50.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.754 -1.112 . . . . 1.6200000000000001 110.568 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.583 HG12 HD12 ' C' ' 7' ' ' LEU . 17.9 t -142.29 124.19 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.0 0.429 . . . . 0.34000000000000002 111.268 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' D' ' 1' ' ' MET . 16.2 mt -92.98 117.59 36.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.873 -0.603 . . . . 0.48999999999999999 110.763 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.747 HD22 ' HB2' ' C' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 108.607 -0.886 . . . . 0.93999999999999995 108.607 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.402 ' O ' ' HB ' ' C' ' 25' ' ' THR . 9.9 t0 . . . . . 0 CA--C 1.517 -0.313 0 CA-C-O 121.257 0.551 . . . . 1.6499999999999999 110.522 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -46.76 63.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.429 -0.805 . . . . 0.29999999999999999 110.809 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.42 -31.58 72.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.963 -0.562 . . . . 0.33000000000000002 110.775 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.542 ' O ' HG23 ' C' ' 29' ' ' VAL . 96.3 m -64.44 -40.67 96.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 0.38 110.824 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.747 ' HB2' HD22 ' C' ' 7' ' ' LEU . 10.7 t80 -65.62 -50.88 63.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.37 110.68 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.436 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 62.9 mt-10 -54.91 -49.39 71.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 2.0499999999999998 110.995 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.47 -52.75 42.93 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.298 0.481 . . . . 1.79 112.298 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.542 HG23 ' O ' ' C' ' 25' ' ' THR . 61.8 t -64.3 -45.4 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.062 0.393 . . . . 0.25 112.062 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.671 HG23 ' O ' ' C' ' 26' ' ' PHE . 43.6 t -68.32 -40.76 82.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.033 -0.531 . . . . 0.26000000000000001 111.338 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -71.24 -46.14 61.69 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.789 -0.364 . . . . 1.3899999999999999 110.483 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -64.54 -42.49 95.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 1.8200000000000001 111.378 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.521 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 4.5 t80 -63.68 -46.91 83.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.668 0.618 . . . . 0.29999999999999999 112.668 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.649 ' HZ ' HD21 ' D' ' 7' ' ' LEU . 32.3 m-85 -78.17 -30.92 49.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.865 0.691 . . . . 0.56999999999999995 112.865 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -53.78 -32.55 52.86 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.217 0.532 . . . . 0.32000000000000001 110.842 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -58.31 -17.24 18.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.46 -0.791 . . . . 1.1799999999999999 112.123 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.587 ' OD1' HG23 ' C' ' 39' ' ' VAL . 14.2 p30 -110.16 -2.87 16.66 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.833 0.679 . . . . 1.6200000000000001 112.833 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.49 49.34 1.31 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.213 -0.994 . . . . 0.26000000000000001 113.566 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.587 HG23 ' OD1' ' C' ' 37' ' ' ASN . 61.9 t -124.4 137.76 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 108.664 -0.865 . . . . 0.26000000000000001 108.664 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -150.1 -175.11 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.323 0.583 . . . . 1.3 111.74 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.34 -145.33 17.01 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.107 -0.951 . . . . 0.23999999999999999 112.095 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -148.81 154.81 40.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.393 . . . . 1.5700000000000001 111.199 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' TRP . . . . . 0.436 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 94.4 m95 -73.55 115.21 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.861 -0.609 . . . . 0.33000000000000002 110.856 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -108.12 142.64 38.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.86 -0.609 . . . . 0.19 110.524 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.99 140.89 50.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.568 -0.742 . . . . 0.27000000000000002 110.681 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.3 160.77 32.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 1.1399999999999999 110.536 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.19 131.62 46.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 2.2599999999999998 111.222 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.38 140.48 33.57 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.206 -0.452 . . . . 0.25 111.519 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -137.48 149.99 47.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.915 -0.584 . . . . 0.28000000000000003 110.841 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -117.56 138.23 52.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.83999999999999997 110.607 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 21.4 m -126.25 133.48 51.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.858 -0.61 . . . . 0.26000000000000001 110.417 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -80.58 121.85 26.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.845 0.355 . . . . 0.31 111.621 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 42.6 m -99.36 123.88 44.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.148 -0.478 . . . . 0.20000000000000001 110.194 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.459 HG12 ' N ' ' C' ' 55' ' ' THR . 19.5 t -70.09 156.27 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.021 0.439 . . . . 0.28000000000000003 110.837 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.459 ' N ' HG12 ' C' ' 54' ' ' VAL . 40.8 m -151.99 -72.8 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.781 -0.645 . . . . 0.34000000000000002 111.12 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.158 -0.925 . . . . 4.3700000000000001 110.901 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' C' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.916 0.389 . . . . 1.0 111.339 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 2' ' ' GLN . . . . . 0.505 ' HB3' HG23 ' A' ' 49' ' ' THR . 4.6 tt0 -91.58 124.38 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.857 -0.61 . . . . 1.77 110.347 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.41 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.6 m-85 -109.11 131.03 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.534 0.683 . . . . 0.28000000000000003 111.546 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -106.0 124.76 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.614 -1.175 . . . . 1.6200000000000001 110.393 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.574 HG12 HD12 ' D' ' 7' ' ' LEU . 19.4 t -142.24 123.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.019 0.437 . . . . 0.34000000000000002 111.022 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' C' ' 1' ' ' MET . 15.6 mt -92.96 117.45 36.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.819 -0.628 . . . . 0.48999999999999999 110.618 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.73 HD22 ' HB2' ' D' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.543 0 N-CA-C 108.238 -1.023 . . . . 0.93999999999999995 108.238 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' D' ' 25' ' ' THR . 10.3 t0 . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 121.262 0.553 . . . . 1.6499999999999999 110.761 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.7 -47.07 64.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.475 -0.784 . . . . 0.29999999999999999 110.876 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.02 -31.72 72.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.33000000000000002 110.697 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.54 ' O ' HG23 ' D' ' 29' ' ' VAL . 99.8 m -64.02 -40.96 97.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.013 -0.54 . . . . 0.38 110.887 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.73 ' HB2' HD22 ' D' ' 7' ' ' LEU . 10.4 t80 -65.93 -50.71 63.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.37 110.615 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 27' ' ' GLU . . . . . 0.435 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 62.7 mt-10 -55.03 -49.45 71.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.389 -0.369 . . . . 2.0499999999999998 110.955 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.33 -53.03 41.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.338 0.496 . . . . 1.79 112.338 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.54 HG23 ' O ' ' D' ' 25' ' ' THR . 62.1 t -64.17 -45.47 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 N-CA-C 112.095 0.406 . . . . 0.25 112.095 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.672 HG23 ' O ' ' D' ' 26' ' ' PHE . 43.4 t -68.11 -41.2 84.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.021 -0.536 . . . . 0.26000000000000001 111.402 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -71.02 -45.91 63.11 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.802 -0.359 . . . . 1.3899999999999999 110.496 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -64.49 -42.89 95.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.762 0.315 . . . . 1.8200000000000001 111.344 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.522 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 4.4 t80 -63.54 -47.09 83.04 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.641 0.608 . . . . 0.29999999999999999 112.641 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.652 ' HZ ' HD21 ' C' ' 7' ' ' LEU . 32.8 m-85 -77.76 -30.56 51.58 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.08 0.77 . . . . 0.56999999999999995 113.08 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -54.32 -32.39 56.46 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.212 0.53 . . . . 0.32000000000000001 110.783 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -58.41 -17.2 18.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 1.1799999999999999 112.084 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.578 ' OD1' HG23 ' D' ' 39' ' ' VAL . 14.2 p30 -110.2 -2.71 16.7 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.839 0.681 . . . . 1.6299999999999999 112.839 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.24 48.5 1.43 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.168 -1.015 . . . . 0.26000000000000001 113.708 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.578 HG23 ' OD1' ' D' ' 37' ' ' ASN . 61.7 t -123.31 138.38 53.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 108.582 -0.896 . . . . 0.26000000000000001 108.582 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -150.57 -174.99 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.201 -0.6 . . . . 1.3 111.698 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.95 -145.61 17.28 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.165 -0.925 . . . . 0.23999999999999999 112.239 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.53 154.27 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 1.5800000000000001 111.212 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 43' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 94.0 m95 -73.2 115.36 12.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.894 -0.594 . . . . 0.33000000000000002 110.919 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -108.29 142.48 38.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.819 -0.628 . . . . 0.19 110.476 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.73 141.04 51.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.566 -0.743 . . . . 0.27000000000000002 110.717 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.35 160.74 32.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.1399999999999999 110.534 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.25 131.14 45.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 2.2599999999999998 111.315 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.09 139.97 33.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.25 -0.432 . . . . 0.26000000000000001 111.623 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -136.97 150.05 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.28000000000000003 110.811 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -117.65 138.29 52.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.0 0.429 . . . . 0.84999999999999998 110.585 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 22.2 m -126.44 133.29 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.863 -0.608 . . . . 0.26000000000000001 110.456 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -80.19 121.98 26.26 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.794 0.33 . . . . 0.32000000000000001 111.648 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 46.4 m -99.59 123.82 44.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 0.20999999999999999 110.224 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.464 HG12 ' N ' ' D' ' 55' ' ' THR . 19.6 t -69.83 156.75 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.28000000000000003 110.909 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.464 ' N ' HG12 ' D' ' 54' ' ' VAL . 35.3 m -152.77 -71.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.34000000000000002 111.086 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.202 -0.904 . . . . 4.3700000000000001 110.939 -179.842 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.934 0.397 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -89.58 124.24 34.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.481 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 35.6 m-85 -108.8 128.58 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.24 0.543 . . . . 0.0 111.925 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -106.74 125.31 50.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.41 122.04 9.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' B' ' 1' ' ' MET . 21.1 mt -92.97 117.27 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.433 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.621 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 25' ' ' THR . 4.7 m-20 . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 121.288 0.566 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.491 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.94 -42.4 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.955 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -30.25 69.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.4 m -61.73 -38.12 86.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.393 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 30' ' ' VAL . 25.3 t80 -68.26 -52.69 31.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.797 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 20.0 mt-10 -51.73 -54.41 28.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.909 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -65.75 -51.41 59.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.589 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 59.3 t -63.01 -41.3 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 26' ' ' PHE . 59.0 t -70.19 -45.1 77.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -64.06 -44.98 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.975 0.417 . . . . 0.0 110.566 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.32 -45.75 89.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.025 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.3 t80 -67.29 -46.9 72.21 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.633 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 38.6 m-85 -74.89 -33.27 62.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.77 -30.94 62.1 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.975 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -61.37 -18.09 57.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.093 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.672 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.4 p30 -105.44 -19.7 13.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.29 15.12 2.08 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.052 -1.071 . . . . 0.0 114.046 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.672 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.5 t -89.3 143.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 117.306 0.553 . . . . 0.0 110.872 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -156.28 -177.78 6.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.871 0.367 . . . . 0.0 111.244 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.08 -145.02 18.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.262 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -148.74 156.23 42.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 96.0 m95 -72.96 119.47 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.387 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -113.97 141.5 47.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.547 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.76 143.78 51.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.881 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.65 160.47 32.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -65.85 127.84 33.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.85 142.66 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.107 0.48 . . . . 0.0 111.977 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 m -137.49 156.27 48.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.467 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -127.84 122.26 32.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.015 0.436 . . . . 0.0 111.253 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -107.45 134.1 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.568 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -81.4 116.03 21.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.239 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -89.97 124.43 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.671 0.272 . . . . 0.0 110.544 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.44 155.92 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.103 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -148.46 -67.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.98 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.404 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.886 0.374 . . . . 0.0 111.196 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -89.58 124.2 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.712 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.491 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 35.7 m-85 -108.76 128.67 55.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.255 0.55 . . . . 0.0 111.958 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -106.79 125.19 50.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.33 122.08 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 1' ' ' MET . 21.4 mt -92.98 117.26 35.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.439 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.633 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.1 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.485 ' O ' ' HB ' ' B' ' 25' ' ' THR . 4.7 m-20 . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 121.352 0.596 . . . . 0.0 111.689 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.481 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.98 -42.42 60.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.014 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.12 -30.37 69.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.59 ' O ' HG23 ' B' ' 29' ' ' VAL . 50.6 m -61.67 -38.08 86.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.655 ' O ' HG23 ' B' ' 30' ' ' VAL . 25.6 t80 -68.29 -52.62 31.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.421 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 21.6 mt-10 -51.86 -54.33 30.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.885 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -65.66 -51.51 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 25' ' ' THR . 58.8 t -62.96 -41.3 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.2 t -70.2 -45.07 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -64.09 -45.01 90.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 110.52 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -63.25 -45.73 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.13 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.589 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.3 t80 -67.21 -46.93 72.38 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.621 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 38.3 m-85 -74.88 -33.34 62.05 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.71 -30.89 61.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.967 0.413 . . . . 0.0 110.994 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.38 -18.08 57.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.093 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.68 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.5 p30 -105.58 -19.41 13.78 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.93 15.34 2.13 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.068 -1.063 . . . . 0.0 114.023 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.68 HG23 ' OD1' ' B' ' 37' ' ' ASN . 23.1 t -89.42 143.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 117.279 0.54 . . . . 0.0 110.852 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -156.49 -178.3 7.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.61 -144.95 18.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.243 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -148.73 156.15 41.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.421 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 96.0 m95 -73.02 119.3 17.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.374 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.3 p -113.77 141.43 47.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.544 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.66 143.72 51.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.854 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.55 160.49 32.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -65.84 127.57 32.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.73 142.86 27.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.962 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 24.0 m -137.76 156.37 48.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.547 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -127.75 122.27 32.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.005 0.431 . . . . 0.0 111.33 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -107.37 134.09 50.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.559 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -81.43 116.11 21.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.24 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.7 m -89.94 124.6 34.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.696 0.284 . . . . 0.0 110.594 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.53 155.95 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 111.061 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.7 m -148.59 -67.72 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.007 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -89.31 124.18 34.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.664 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.475 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 35.6 m-85 -108.8 128.66 55.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.298 0.571 . . . . 0.0 111.959 -179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -106.8 125.29 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.019 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.33 122.04 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 21.5 mt -92.95 117.25 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.405 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.647 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' C' ' 25' ' ' THR . 4.1 m-20 . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 121.146 0.498 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.456 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -50.71 -42.16 56.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.915 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.45 -30.25 69.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.128 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' C' ' 29' ' ' VAL . 50.7 m -61.76 -38.2 87.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.332 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.67 ' O ' HG23 ' C' ' 30' ' ' VAL . 25.1 t80 -68.18 -52.67 31.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.759 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.421 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 20.7 mt-10 -51.8 -54.37 29.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.907 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -65.71 -51.42 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.598 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 59.6 t -63.07 -41.36 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.67 HG23 ' O ' ' C' ' 26' ' ' PHE . 59.6 t -70.26 -44.85 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -64.16 -45.02 90.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.002 0.43 . . . . 0.0 110.573 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.33 -45.8 89.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.008 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.594 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.3 t80 -67.23 -46.96 72.22 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.649 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 38.4 m-85 -74.87 -33.21 62.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.92 -30.89 62.33 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.875 0.369 . . . . 0.0 110.964 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.4 -18.06 57.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.04 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.668 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.5 p30 -105.59 -19.7 13.69 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.39 15.08 2.07 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.1 -1.048 . . . . 0.0 114.056 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.668 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.2 t -89.4 143.26 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.309 0.554 . . . . 0.0 110.893 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -156.42 -178.38 7.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 111.232 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.69 -145.0 18.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.213 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -148.67 156.11 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.001 0.429 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' TRP . . . . . 0.421 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 96.0 m95 -72.91 119.57 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.369 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -113.99 141.44 47.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.583 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.78 143.73 51.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.848 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.6 160.42 32.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.89 127.87 33.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.12 142.99 28.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.096 0.474 . . . . 0.0 112.121 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 22.4 m -137.67 156.31 48.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.502 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -127.74 122.25 32.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.414 . . . . 0.0 111.188 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -107.38 134.11 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.647 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.42 116.05 21.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.18 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -89.93 124.6 34.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.701 0.286 . . . . 0.0 110.498 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.47 156.04 7.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 111.025 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -148.54 -67.78 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.976 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -89.47 124.07 34.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.693 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.456 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 35.8 m-85 -108.69 128.67 55.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.179 0.514 . . . . 0.0 111.951 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -106.77 125.27 50.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.38 122.06 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 21.0 mt -92.96 117.22 35.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.431 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.055 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' D' ' 25' ' ' THR . 4.7 m-20 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 121.349 0.595 . . . . 0.0 111.694 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.475 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -50.86 -42.28 58.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.018 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.34 69.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.085 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.598 ' O ' HG23 ' D' ' 29' ' ' VAL . 51.2 m -61.74 -38.22 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.32 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.672 ' O ' HG23 ' D' ' 30' ' ' VAL . 24.8 t80 -68.14 -52.81 30.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.753 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 27' ' ' GLU . . . . . 0.422 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 20.1 mt-10 -51.66 -54.41 28.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.906 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -65.71 -51.49 58.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.598 HG23 ' O ' ' D' ' 25' ' ' THR . 59.0 t -62.97 -41.32 92.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.672 HG23 ' O ' ' D' ' 26' ' ' PHE . 59.1 t -70.18 -45.1 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -64.14 -44.98 90.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.485 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.39 -45.7 89.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.031 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.3 t80 -67.16 -47.03 72.23 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.647 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 38.4 m-85 -74.87 -33.23 62.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.88 -30.85 62.2 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.958 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.43 -18.04 57.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.025 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.67 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.5 p30 -105.5 -19.75 13.69 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.3 15.19 2.07 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.052 -1.07 . . . . 0.0 114.047 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.67 HG23 ' OD1' ' D' ' 37' ' ' ASN . 22.3 t -89.42 143.24 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.297 0.549 . . . . 0.0 110.858 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -156.48 -178.2 7.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.005 0.431 . . . . 0.0 111.161 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.56 -144.99 18.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.221 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -148.64 156.07 41.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 43' ' ' TRP . . . . . 0.422 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 96.0 m95 -72.95 119.39 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.378 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 68.1 p -113.87 141.45 47.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.572 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -70.75 143.74 51.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.87 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.61 160.44 32.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -65.9 127.97 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.621 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.01 142.56 29.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.134 0.492 . . . . 0.0 112.036 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -137.46 156.34 48.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.508 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -127.81 122.2 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 111.241 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -107.32 134.12 50.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.38 115.94 20.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.212 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -89.87 124.5 34.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.716 0.293 . . . . 0.0 110.484 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.401 HG12 ' N ' ' D' ' 55' ' ' THR . 5.1 t -71.49 156.14 7.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.059 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.401 ' N ' HG12 ' D' ' 54' ' ' VAL . 34.1 m -148.53 -67.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.957 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.761 0.315 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -89.38 123.79 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.705 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 39.8 m-85 -110.12 132.33 54.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.352 0.596 . . . . 0.0 112.293 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -106.28 130.76 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.841 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.522 HG12 HD12 ' A' ' 7' ' ' LEU . 19.5 t -142.73 128.11 16.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.269 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -96.67 123.62 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.416 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.767 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 2.3 mp . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 120.68 0.276 . . . . 0.0 110.534 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.8 t70 . . . . . 0 CA--C 1.52 -0.204 0 CA-C-O 121.379 0.609 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.21 -42.33 39.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.388 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -29.7 68.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.174 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.8 m -62.14 -40.22 95.23 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.049 0.452 . . . . 0.0 110.42 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.3 t80 -66.54 -47.22 73.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.948 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.04 -51.7 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.955 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -66.61 -50.24 63.65 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 25' ' ' THR . 61.7 t -61.8 -41.7 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.4 t -72.7 -44.54 59.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.03 -46.39 87.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.774 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -64.35 -44.73 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.561 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.7 -46.49 72.1 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.777 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 39.4 m-85 -74.87 -32.13 61.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -29.89 62.62 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.73 -17.82 57.34 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.035 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.651 ' OD1' HG23 ' A' ' 39' ' ' VAL . 20.5 p30 -106.6 -20.24 13.42 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.7 14.67 1.87 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.249 -0.977 . . . . 0.0 114.305 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.651 HG23 ' OD1' ' A' ' 37' ' ' ASN . 26.2 t -88.96 143.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.616 0.708 . . . . 0.0 110.679 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -154.45 -178.19 6.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.094 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.08 -143.47 17.97 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.406 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -151.88 158.98 43.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -74.07 118.58 17.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -111.15 141.58 44.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.373 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.87 143.73 52.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.089 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 159.21 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -66.72 129.97 41.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.343 . . . . 0.0 110.747 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.37 143.48 34.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.917 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -138.36 156.52 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.484 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -124.41 119.22 28.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.024 0.44 . . . . 0.0 111.44 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -105.83 133.02 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.21 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -80.85 115.99 20.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.4 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.3 m -94.1 124.04 37.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.31 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 55' ' ' THR . 5.1 t -71.39 154.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 111.416 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.751 HG22 ' HG2' ' A' ' 56' ' ' GLU . 87.4 m -140.24 -77.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.751 ' HG2' HG22 ' A' ' 55' ' ' THR . 4.9 pt-20 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.721 0.296 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.07 123.67 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.806 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.43 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 39.7 m-85 -110.04 132.05 54.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.284 0.564 . . . . 0.0 112.299 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -106.13 130.99 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.867 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.543 HG12 HD12 ' B' ' 7' ' ' LEU . 19.7 t -142.75 128.04 16.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.284 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mt -96.63 123.41 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.35 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.777 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 2.1 mp . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.462 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' B' ' 25' ' ' THR . 13.7 t70 . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 121.269 0.557 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.18 -42.27 39.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.348 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.8 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.177 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.626 ' O ' HG23 ' B' ' 29' ' ' VAL . 83.9 m -62.09 -40.08 94.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.624 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.4 t80 -66.71 -47.08 73.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.934 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.03 -51.7 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.917 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -66.79 -50.09 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 25' ' ' THR . 62.0 t -61.84 -41.64 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 26' ' ' PHE . 62.0 t -72.7 -44.6 59.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.0 -46.36 88.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.001 0.429 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.44 -44.66 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.498 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.514 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.7 t80 -67.71 -46.58 71.8 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.767 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 39.4 m-85 -74.92 -32.09 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -29.93 62.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.986 0.422 . . . . 0.0 111.005 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.77 -17.73 57.12 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.026 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.657 ' OD1' HG23 ' B' ' 39' ' ' VAL . 20.5 p30 -106.68 -20.34 13.38 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.78 14.73 1.84 Allowed Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.225 -0.988 . . . . 0.0 114.252 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.657 HG23 ' OD1' ' B' ' 37' ' ' ASN . 27.8 t -89.1 143.27 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 117.654 0.727 . . . . 0.0 110.703 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -154.44 -178.02 6.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 111.019 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.02 -143.76 18.04 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.453 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -151.54 158.73 43.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -73.88 118.75 17.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.351 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 62.9 p -111.27 141.56 44.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.344 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -69.82 143.65 52.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.023 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.42 159.22 34.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.68 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -66.76 130.1 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 143.3 36.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 111.886 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 21.3 m -138.32 156.58 47.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.346 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -124.32 119.38 29.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.999 0.428 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 38.7 m -105.98 132.92 51.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.142 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -80.97 115.97 20.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.348 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 62.5 m -94.02 123.88 37.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.238 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.401 HG12 ' N ' ' B' ' 55' ' ' THR . 5.1 t -71.43 155.06 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.946 0.403 . . . . 0.0 111.323 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.754 HG22 ' HG2' ' B' ' 56' ' ' GLU . 87.4 m -140.19 -77.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.129 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.754 ' HG2' HG22 ' B' ' 55' ' ' THR . 4.6 pt-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.41 123.81 33.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 39.8 m-85 -110.0 132.22 54.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.302 0.572 . . . . 0.0 112.29 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -106.24 130.88 54.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.914 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.522 HG12 HD12 ' C' ' 7' ' ' LEU . 19.6 t -142.77 128.22 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.375 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.5 mt -97.01 123.69 49.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.395 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.762 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 2.3 mp . . . . . 0 CA--C 1.529 0.17 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.418 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.5 t70 . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 121.456 0.646 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.423 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -49.34 -42.22 41.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.371 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.82 -29.76 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.164 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.625 ' O ' HG23 ' C' ' 29' ' ' VAL . 78.7 m -62.15 -40.16 95.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.5 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.609 ' O ' HG23 ' C' ' 30' ' ' VAL . 19.4 t80 -66.58 -47.26 73.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.985 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.97 -51.65 68.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.009 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -66.69 -50.02 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.625 HG23 ' O ' ' C' ' 25' ' ' THR . 61.7 t -61.75 -41.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.609 HG23 ' O ' ' C' ' 26' ' ' PHE . 61.3 t -72.63 -44.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.0 -46.4 87.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 0.0 110.768 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.38 -44.66 90.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.495 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.529 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.7 t80 -67.83 -46.43 71.84 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.765 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 39.6 m-85 -74.92 -32.04 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -29.98 62.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.021 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.79 -17.81 57.54 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.039 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.653 ' OD1' HG23 ' C' ' 39' ' ' VAL . 20.6 p30 -106.62 -20.3 13.4 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.7 14.65 1.87 Allowed Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.213 -0.994 . . . . 0.0 114.343 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.653 HG23 ' OD1' ' C' ' 37' ' ' ASN . 26.3 t -88.96 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 117.613 0.707 . . . . 0.0 110.777 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -154.49 -178.09 6.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 111.155 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.07 -143.49 17.97 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.433 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -151.7 158.92 44.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 111.199 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -74.09 118.58 17.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.308 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 64.0 p -111.21 141.67 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.379 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -70.03 143.68 52.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.044 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 159.31 34.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.677 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.86 130.1 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 143.0 34.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.064 0.459 . . . . 0.0 111.986 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 20.1 m -138.19 156.58 47.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.356 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -124.68 119.4 28.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 0.0 111.299 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 39.4 m -105.9 133.02 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.169 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -80.96 115.95 20.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.363 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 71.8 m -93.99 124.16 37.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.313 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.407 HG12 ' N ' ' C' ' 55' ' ' THR . 5.2 t -71.74 155.2 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 111.381 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.754 HG22 ' HG2' ' C' ' 56' ' ' GLU . 87.9 m -140.52 -77.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.084 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' GLU . . . . . 0.754 ' HG2' HG22 ' C' ' 55' ' ' THR . 4.6 pt-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.48 123.68 33.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.73 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.423 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 40.1 m-85 -109.97 132.14 54.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.288 0.566 . . . . 0.0 112.269 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -106.22 130.99 53.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.807 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.523 HG12 HD12 ' D' ' 7' ' ' LEU . 19.4 t -142.73 128.08 16.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.287 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.7 mt -96.82 123.65 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.424 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.765 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 2.3 mp . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.378 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.9 t70 . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 121.318 0.58 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.406 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -49.09 -42.29 38.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.327 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.84 69.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.169 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.625 ' O ' HG23 ' D' ' 29' ' ' VAL . 82.6 m -62.08 -40.1 94.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.452 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.604 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.5 t80 -66.54 -47.42 72.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.949 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.93 -51.61 68.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.955 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -66.6 -50.36 63.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.625 HG23 ' O ' ' D' ' 25' ' ' THR . 61.0 t -61.73 -41.63 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.604 HG23 ' O ' ' D' ' 26' ' ' PHE . 61.1 t -72.6 -44.93 59.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -62.83 -46.42 88.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.967 0.413 . . . . 0.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.26 -44.79 90.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.544 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.7 t80 -67.76 -46.46 71.98 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.762 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 39.1 m-85 -74.9 -32.16 61.74 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -29.96 62.53 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.965 178.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.83 -17.74 57.45 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.011 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.651 ' OD1' HG23 ' D' ' 39' ' ' VAL . 20.5 p30 -106.56 -20.36 13.39 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.71 14.67 1.86 Allowed Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.248 -0.977 . . . . 0.0 114.269 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.651 HG23 ' OD1' ' D' ' 37' ' ' ASN . 26.0 t -89.04 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 117.607 0.704 . . . . 0.0 110.747 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -154.51 -177.95 6.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.881 0.372 . . . . 0.0 111.037 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.95 -143.63 17.99 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.466 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -151.65 158.81 43.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.102 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -73.95 118.73 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.323 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 59.5 p -111.19 141.61 44.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.308 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -69.98 143.76 52.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.3 159.16 34.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.7 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.63 130.17 42.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.4 143.0 36.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.458 . . . . 0.0 111.908 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -138.13 156.53 47.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.41 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -124.49 119.68 29.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.0 111.393 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 36.9 m -106.34 133.08 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.154 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -80.97 116.01 20.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.442 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 61.7 m -94.02 124.12 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.28 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.69 155.06 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 111.355 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.746 HG22 ' HG2' ' D' ' 56' ' ' GLU . 87.7 m -140.31 -77.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.128 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 56' ' ' GLU . . . . . 0.746 ' HG2' HG22 ' D' ' 55' ' ' THR . 4.7 pt-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.45 125.22 35.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.801 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.514 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 37.4 m-85 -108.26 127.08 53.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.22 0.533 . . . . 0.0 112.17 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -106.81 124.79 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.2 125.02 14.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.7 mt -94.67 117.2 37.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.465 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.979 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 25' ' ' THR . 14.8 t70 . . . . . 0 CA--C 1.521 -0.159 0 CA-C-O 121.311 0.576 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.507 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.21 -43.23 64.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.302 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.34 75.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.078 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.2 m -63.05 -39.56 95.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.308 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.726 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.1 t80 -64.79 -53.01 53.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.974 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -53.7 -49.24 68.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.866 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -66.81 -48.67 68.23 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 25' ' ' THR . 70.7 t -63.69 -42.2 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 26' ' ' PHE . 49.0 t -69.82 -45.1 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.041 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -64.17 -45.41 88.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.94 -41.35 95.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.4 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.524 ' HZ ' HG22 ' B' ' 25' ' ' THR . 3.8 t80 -68.39 -48.39 64.83 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.432 ' HB3' HG21 ' A' ' 39' ' ' VAL . 28.9 m-85 -78.03 -31.24 50.33 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.15 -29.22 44.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.014 0.435 . . . . 0.0 111.062 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -61.24 -17.15 51.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.118 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 39' ' ' VAL . 11.2 p30 -103.84 -17.82 14.89 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.11 16.3 2.18 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.258 -0.972 . . . . 0.0 113.919 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.436 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.0 t -89.14 143.1 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.174 0.487 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.24 -179.74 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.112 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.51 -144.78 17.76 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.408 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -149.82 157.17 42.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CZ3' ' HB2' ' C' ' 52' ' ' PHE . 88.2 m95 -72.92 120.53 18.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.406 HG21 ' OG1' ' C' ' 53' ' ' THR . 52.0 p -114.63 139.11 49.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.18 144.45 50.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.486 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.48 157.0 38.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.64 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.1 136.31 54.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.2 140.82 43.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.642 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -136.47 156.44 48.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -117.79 148.08 42.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.5 m -142.12 131.2 23.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.293 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.6 117.99 22.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.37 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -92.59 124.37 36.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.94 155.42 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.965 0.412 . . . . 0.0 111.156 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.8 m -147.73 -68.48 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.938 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.839 0.352 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -90.34 125.3 35.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.507 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.4 m-85 -108.36 127.16 53.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.254 0.549 . . . . 0.0 112.137 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -106.77 124.77 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.95 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -142.17 124.76 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -94.45 117.17 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.531 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.898 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.417 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.9 t70 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.281 0.562 . . . . 0.0 111.336 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.514 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -52.15 -43.42 64.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.215 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.28 75.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.032 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.682 ' O ' HG23 ' B' ' 29' ' ' VAL . 18.5 m -63.11 -39.37 94.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.34 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.722 ' O ' HG23 ' B' ' 30' ' ' VAL . 78.7 t80 -64.99 -53.03 52.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.877 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -53.75 -49.06 69.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.877 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -66.95 -48.71 67.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.682 HG23 ' O ' ' B' ' 25' ' ' THR . 71.2 t -63.51 -42.33 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 26' ' ' PHE . 49.5 t -69.89 -44.82 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.105 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -64.35 -45.42 87.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.987 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -65.01 -41.29 95.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.466 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.541 ' HZ ' HG22 ' A' ' 25' ' ' THR . 3.8 t80 -68.41 -48.37 64.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.442 ' HB3' HG21 ' B' ' 39' ' ' VAL . 28.7 m-85 -78.05 -31.08 50.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.31 -29.1 46.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.964 0.412 . . . . 0.0 111.04 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -61.18 -17.16 51.62 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.082 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.447 ' OD1' HG23 ' B' ' 39' ' ' VAL . 11.5 p30 -104.08 -17.72 14.82 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.92 16.46 2.2 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.931 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.447 HG23 ' OD1' ' B' ' 37' ' ' ASN . 22.0 t -89.12 143.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 117.12 0.46 . . . . 0.0 111.061 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -154.45 -179.72 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 111.129 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.47 -145.08 17.9 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -149.56 156.9 42.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.848 0.356 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -72.65 120.71 18.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.094 0.474 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 55.0 p -114.81 138.83 50.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.95 144.29 50.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.507 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.51 156.94 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.689 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.25 136.46 54.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 140.26 44.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.632 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.6 m -135.75 156.41 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.83 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -117.81 148.08 42.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 11.3 m -142.07 131.13 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.239 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.41 ' HB2' ' CZ3' ' D' ' 43' ' ' TRP . 61.2 t80 -81.47 117.94 22.3 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.379 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.412 ' OG1' HG21 ' D' ' 44' ' ' THR . 94.8 m -92.64 124.56 36.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.99 156.0 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.934 0.397 . . . . 0.0 111.08 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 55.1 m -148.16 -68.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.843 0.354 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -90.36 125.29 35.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.521 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 37.0 m-85 -108.32 127.13 53.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.287 0.565 . . . . 0.0 112.178 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -106.84 124.77 50.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.951 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.1 t -142.15 124.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -94.77 117.29 38.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.586 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.941 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.43 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.3 t70 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 121.493 0.663 . . . . 0.0 112.097 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.514 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -52.42 -43.35 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.235 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.23 75.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.666 ' O ' HG23 ' C' ' 29' ' ' VAL . 18.3 m -63.11 -39.55 95.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.213 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.714 ' O ' HG23 ' C' ' 30' ' ' VAL . 78.8 t80 -64.92 -52.9 53.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.861 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -53.79 -49.35 68.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.816 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -66.81 -48.59 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.666 HG23 ' O ' ' C' ' 25' ' ' THR . 73.3 t -63.68 -42.25 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.714 HG23 ' O ' ' C' ' 26' ' ' PHE . 53.2 t -69.8 -44.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.973 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -64.31 -45.44 87.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -65.02 -41.33 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.437 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.523 ' HZ ' HG22 ' D' ' 25' ' ' THR . 3.8 t80 -68.32 -48.46 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.425 ' HB3' HG21 ' C' ' 39' ' ' VAL . 28.7 m-85 -78.13 -31.21 49.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.27 -29.12 45.93 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.057 -0.402 . . . . 0.0 111.059 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.26 -17.15 52.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.967 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.454 ' OD1' HG23 ' C' ' 39' ' ' VAL . 11.3 p30 -104.0 -17.88 14.8 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.24 16.06 2.18 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.869 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.454 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.1 t -88.89 143.18 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.276 0.538 . . . . 0.0 111.108 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -154.32 -179.57 8.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.926 0.393 . . . . 0.0 111.138 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.29 -144.98 17.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.412 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -149.71 157.02 42.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 110.97 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.79 120.59 18.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.4 p -114.59 138.96 50.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.1 144.23 50.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.448 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.36 157.06 38.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.666 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.04 136.15 54.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.87 140.21 43.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.605 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 19.8 m -135.96 156.39 48.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -117.86 148.32 42.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 12.7 m -142.34 131.13 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.23 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' PHE . . . . . 0.401 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 61.5 t80 -81.38 118.26 22.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.483 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 53' ' ' THR . . . . . 0.406 ' OG1' HG21 ' A' ' 44' ' ' THR . 91.8 m -92.82 124.34 36.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.284 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.08 155.38 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.891 0.377 . . . . 0.0 111.128 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 55.5 m -147.72 -68.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.786 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.962 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 121.006 0.431 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.46 125.18 35.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.759 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.514 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.2 m-85 -108.27 127.09 53.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.348 0.595 . . . . 0.0 112.144 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -106.75 124.58 49.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -142.2 124.88 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 34.3 mt -94.67 117.33 38.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.515 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.428 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.983 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' D' ' 25' ' ' THR . 15.1 t70 . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 121.335 0.588 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.521 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -52.06 -43.59 63.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.248 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.031 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.66 ' O ' HG23 ' D' ' 29' ' ' VAL . 18.6 m -63.01 -39.57 95.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.706 ' O ' HG23 ' D' ' 30' ' ' VAL . 78.9 t80 -64.95 -52.97 53.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.826 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -53.74 -49.28 68.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.752 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -66.82 -48.8 67.81 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.66 HG23 ' O ' ' D' ' 25' ' ' THR . 75.3 t -63.49 -42.21 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.706 HG23 ' O ' ' D' ' 26' ' ' PHE . 51.8 t -69.89 -44.96 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.034 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -64.11 -45.54 88.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.98 -41.25 95.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.388 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.53 ' HZ ' HG22 ' C' ' 25' ' ' THR . 3.8 t80 -68.46 -48.41 64.6 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.43 ' HB3' HG21 ' D' ' 39' ' ' VAL . 28.5 m-85 -78.07 -31.18 50.05 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.21 -29.09 45.04 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.993 0.425 . . . . 0.0 111.069 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -61.14 -17.23 51.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.053 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.443 ' OD1' HG23 ' D' ' 39' ' ' VAL . 11.4 p30 -104.14 -17.85 14.75 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.24 16.42 2.13 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.855 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.443 HG23 ' OD1' ' D' ' 37' ' ' ASN . 22.0 t -89.27 143.19 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.221 0.511 . . . . 0.0 111.052 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -154.28 -179.41 7.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.17 -145.08 18.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -149.74 157.05 42.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.851 0.358 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 43' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' B' ' 52' ' ' PHE . 88.5 m95 -72.83 120.44 18.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 44' ' ' THR . . . . . 0.412 HG21 ' OG1' ' B' ' 53' ' ' THR . 51.9 p -114.55 139.23 49.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.778 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -71.14 144.5 50.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.457 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.54 156.96 38.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.85 136.06 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 140.61 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.702 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -136.28 156.47 48.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -117.8 148.27 42.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 11.6 m -142.37 131.25 22.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.263 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -81.68 118.34 22.75 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.496 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -93.04 124.48 37.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.234 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.03 155.54 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 53.0 m -147.89 -68.16 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.81 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.004 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.734 0.302 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.67 123.28 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.569 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.672 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 36.9 m-85 -110.88 132.77 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.34 0.591 . . . . 0.0 112.082 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -106.44 129.32 54.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.36 123.11 11.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 mt -96.55 117.22 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.58 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.449 HD13 ' HB2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.8 t70 . . . . . 0 C--O 1.226 -0.177 0 CA-C-O 121.231 0.539 . . . . 0.0 111.811 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.677 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -45.21 -44.35 10.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.851 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -24.52 66.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.473 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 29' ' ' VAL . 96.4 m -60.73 -40.06 90.98 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.075 0.464 . . . . 0.0 110.38 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 30' ' ' VAL . 26.3 t80 -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.43 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 39.1 mt-10 -54.97 -52.74 62.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.135 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -67.39 -48.1 68.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.617 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 57.5 t -63.58 -42.01 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 26' ' ' PHE . 62.0 t -69.98 -46.2 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -63.42 -45.27 91.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.004 0.431 . . . . 0.0 110.408 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -62.83 -46.02 89.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.143 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.9 t80 -67.86 -46.35 71.97 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 37.3 m-85 -75.32 -32.75 61.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.4 -30.65 60.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.059 0.457 . . . . 0.0 111.15 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -62.24 -17.87 59.59 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.272 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.721 ' OD1' HG23 ' A' ' 39' ' ' VAL . 21.8 p30 -106.12 -20.86 13.28 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.65 13.62 2.02 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 120.206 -0.997 . . . . 0.0 114.335 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.721 HG23 ' OD1' ' A' ' 37' ' ' ASN . 24.8 t -89.01 143.22 11.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 117.668 0.734 . . . . 0.0 110.635 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -156.84 -178.22 7.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.125 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.04 -145.42 17.68 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.261 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -148.61 156.11 41.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 111.056 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 88.8 m95 -72.9 117.1 14.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.034 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -111.05 138.58 47.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.533 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -70.24 142.73 52.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.624 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.4 158.0 37.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.55 132.48 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.772 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.36 141.14 37.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.13 0.491 . . . . 0.0 111.866 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 m -137.76 156.73 47.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.564 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -125.72 125.03 42.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.878 0.37 . . . . 0.0 111.275 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.9 m -110.36 134.26 52.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.467 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -81.03 118.13 22.22 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.2 m -92.07 121.88 34.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.324 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 55' ' ' THR . 6.4 t -71.85 156.11 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.405 ' N ' HG12 ' A' ' 54' ' ' VAL . 88.4 m -150.23 -71.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.807 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.042 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.751 0.31 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.75 123.34 33.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.677 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.2 m-85 -110.83 132.66 54.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.566 . . . . 0.0 112.122 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -106.42 129.37 54.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.36 123.36 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mt -96.85 117.18 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 111.556 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' B' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.502 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.1 t70 . . . . . 0 C--O 1.226 -0.171 0 CA-C-O 121.183 0.516 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.672 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -45.19 -44.3 10.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.791 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -24.68 66.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.413 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.616 ' O ' HG23 ' B' ' 29' ' ' VAL . 95.7 m -60.6 -40.14 90.7 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.18 0.514 . . . . 0.0 110.389 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.65 ' O ' HG23 ' B' ' 30' ' ' VAL . 26.3 t80 -68.87 -47.19 66.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.523 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.425 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 38.2 mt-10 -55.08 -52.55 62.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.221 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -67.36 -48.3 67.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.618 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 57.4 t -63.35 -42.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 26' ' ' PHE . 61.8 t -69.91 -46.45 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -63.24 -45.27 92.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.43 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -62.76 -45.99 90.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.617 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.8 t80 -67.93 -46.39 71.64 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.508 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 37.5 m-85 -75.27 -32.86 61.18 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.33 -30.61 60.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.966 0.413 . . . . 0.0 111.163 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.25 -17.91 59.71 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.271 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.71 ' OD1' HG23 ' B' ' 39' ' ' VAL . 21.7 p30 -106.04 -20.96 13.26 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.78 13.82 1.97 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.224 -0.989 . . . . 0.0 114.263 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.71 HG23 ' OD1' ' B' ' 37' ' ' ASN . 25.4 t -89.18 143.09 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 117.711 0.756 . . . . 0.0 110.583 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -156.71 -177.98 7.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.095 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.88 -145.53 17.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.145 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -148.65 156.05 41.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 111.041 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 89.0 m95 -72.85 116.84 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -110.83 138.63 46.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.555 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.3 142.59 52.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.624 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.452 ' CG ' ' HG1' ' D' ' 51' ' ' THR . 1.0 OUTLIER -71.37 157.94 37.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.681 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.48 132.81 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.67 141.46 37.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.042 0.448 . . . . 0.0 111.868 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 34.8 m -138.36 156.95 47.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.457 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -125.81 125.2 42.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.96 0.41 . . . . 0.0 111.298 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.435 ' HG1' ' CG ' ' D' ' 46' ' ' ASP . 20.1 m -110.14 134.17 52.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.415 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -81.07 118.1 22.21 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.202 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 97.0 m -91.97 121.99 34.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.318 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 55' ' ' THR . 6.2 t -71.96 156.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 111.071 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.415 ' N ' HG12 ' B' ' 54' ' ' VAL . 89.0 m -150.15 -71.63 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.078 179.733 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.87 0.367 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -89.35 123.24 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.588 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.667 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 36.7 m-85 -110.94 132.9 53.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.352 0.596 . . . . 0.0 112.095 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -106.54 129.36 54.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.41 123.23 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.726 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -96.61 117.12 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 111.554 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' C' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.6 t70 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 121.228 0.537 . . . . 0.0 112.165 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.667 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -45.18 -44.12 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.745 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -24.63 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.345 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.622 ' O ' HG23 ' C' ' 29' ' ' VAL . 96.0 m -60.6 -40.25 91.12 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 0.0 110.291 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.645 ' O ' HG23 ' C' ' 30' ' ' VAL . 25.8 t80 -68.68 -47.3 66.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.598 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' CE2' ' C' ' 43' ' ' TRP . 38.5 mt-10 -54.94 -52.66 62.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.146 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -67.36 -48.27 67.94 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.622 HG23 ' O ' ' C' ' 25' ' ' THR . 58.3 t -63.42 -42.23 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.645 HG23 ' O ' ' C' ' 26' ' ' PHE . 59.1 t -69.69 -46.38 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -63.22 -45.28 92.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.008 0.432 . . . . 0.0 110.473 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -62.87 -46.13 89.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.116 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.622 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.8 t80 -67.76 -46.46 72.02 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 37.3 m-85 -75.28 -32.67 61.09 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.63 -30.41 60.9 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.958 0.408 . . . . 0.0 111.126 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.27 -18.01 60.09 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.197 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.723 ' OD1' HG23 ' C' ' 39' ' ' VAL . 21.9 p30 -105.96 -20.95 13.27 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.91 13.68 1.96 Allowed Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.168 -1.015 . . . . 0.0 114.242 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.723 HG23 ' OD1' ' C' ' 37' ' ' ASN . 25.7 t -89.13 143.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 117.645 0.722 . . . . 0.0 110.602 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -156.84 -178.28 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.932 0.396 . . . . 0.0 111.026 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.13 -145.33 17.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.276 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -148.8 156.15 41.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' TRP . . . . . 0.422 ' CE2' ' HG2' ' C' ' 27' ' ' GLU . 88.9 m95 -72.97 116.97 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.8 p -110.87 138.7 46.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.599 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.3 142.69 52.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.651 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.54 157.94 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.976 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.37 132.78 49.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.748 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.55 141.21 38.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.883 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 32.1 m -137.78 156.66 47.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.483 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -125.71 125.04 42.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.939 0.4 . . . . 0.0 111.248 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 20.2 m -110.29 134.22 52.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.454 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -81.13 118.01 22.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.217 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 96.9 m -92.07 121.97 34.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.213 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.415 HG12 ' N ' ' C' ' 55' ' ' THR . 6.4 t -71.74 156.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.111 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.415 ' N ' HG12 ' C' ' 54' ' ' VAL . 87.3 m -150.42 -71.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.875 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.072 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -89.38 123.17 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.606 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.667 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.0 m-85 -110.88 132.68 54.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.388 0.613 . . . . 0.0 112.183 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -106.4 129.44 54.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.42 122.99 11.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.754 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mt -96.29 116.97 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 111.482 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' D' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.495 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.8 t70 . . . . . 0 C--O 1.226 -0.151 0 CA-C-O 121.183 0.516 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.667 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -45.15 -44.35 10.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.773 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.68 -24.56 66.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.39 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.612 ' O ' HG23 ' D' ' 29' ' ' VAL . 95.6 m -60.68 -40.07 90.81 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.179 0.514 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.654 ' O ' HG23 ' D' ' 30' ' ' VAL . 26.1 t80 -68.95 -47.06 66.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.56 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 27' ' ' GLU . . . . . 0.429 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 37.6 mt-10 -55.01 -52.72 62.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.109 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -67.53 -48.15 67.86 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.622 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 57.6 t -63.42 -42.14 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.654 HG23 ' O ' ' D' ' 26' ' ' PHE . 61.8 t -69.93 -46.28 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -63.29 -45.38 91.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.423 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -62.71 -45.99 90.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.158 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.611 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.8 t80 -68.0 -46.39 71.43 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.505 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 37.6 m-85 -75.26 -32.7 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.54 -30.6 61.04 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.138 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -62.26 -17.8 59.48 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.258 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.711 ' OD1' HG23 ' D' ' 39' ' ' VAL . 21.8 p30 -106.12 -20.93 13.26 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.73 13.77 1.98 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.226 -0.988 . . . . 0.0 114.288 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.711 HG23 ' OD1' ' D' ' 37' ' ' ASN . 25.2 t -89.16 143.2 11.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 117.632 0.716 . . . . 0.0 110.542 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -156.82 -178.03 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.03 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.86 -145.63 17.81 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.222 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -148.55 155.89 41.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 111.095 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 43' ' ' TRP . . . . . 0.429 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 88.9 m95 -72.72 117.05 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 59.0 p -110.94 138.57 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.51 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.2 142.78 52.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.653 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 46' ' ' ASP . . . . . 0.435 ' CG ' ' HG1' ' B' ' 51' ' ' THR . 1.0 OUTLIER -71.49 157.87 37.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.41 132.61 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.2 140.62 38.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.912 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 32.9 m -136.96 156.55 48.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.558 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -125.6 124.98 42.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 111.235 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 51' ' ' THR . . . . . 0.452 ' HG1' ' CG ' ' B' ' 46' ' ' ASP . 19.8 m -110.56 134.16 52.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.431 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -81.06 117.99 22.12 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.224 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -91.76 121.8 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.305 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.415 HG12 ' N ' ' D' ' 55' ' ' THR . 6.3 t -71.8 156.11 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 111.103 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.415 ' N ' HG12 ' D' ' 54' ' ' VAL . 88.3 m -150.07 -71.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.211 -0.899 . . . . 0.0 111.104 179.695 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.816 0.341 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.61 ' HG3' HG23 ' D' ' 49' ' ' THR . 0.9 OUTLIER -91.78 125.51 36.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.049 179.175 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.477 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 43.4 m-85 -109.68 134.63 51.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.319 0.58 . . . . 0.0 112.488 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -106.57 126.99 52.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.487 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.92 130.25 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.371 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -97.14 133.12 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.317 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.9 t70 . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 121.209 0.528 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.474 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.45 -43.25 55.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.38 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.55 73.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.086 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.665 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.5 m -63.27 -41.43 99.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.355 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.742 ' O ' HG23 ' A' ' 30' ' ' VAL . 59.4 t80 -65.08 -53.57 43.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.027 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 30.6 mt-10 -54.22 -49.02 70.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.081 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.65 -50.4 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 25' ' ' THR . 57.6 t -61.72 -39.59 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.9 t -69.0 -45.63 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.797 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -64.5 -45.06 88.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.059 0.457 . . . . 0.0 110.668 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -64.31 -43.3 95.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.335 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.648 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 3.9 t80 -67.52 -47.59 69.5 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.511 ' HB3' HG21 ' A' ' 39' ' ' VAL . 29.7 m-85 -78.28 -32.29 49.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -53.18 -29.15 30.14 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.008 0.432 . . . . 0.0 111.171 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -61.3 -17.14 52.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.143 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' OD1' HG23 ' A' ' 39' ' ' VAL . 12.3 p30 -103.9 -18.03 14.78 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.63 17.22 2.15 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.704 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 34' ' ' PHE . 25.6 t -88.43 143.23 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 117.084 0.442 . . . . 0.0 110.899 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -152.96 178.55 9.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 0.0 111.114 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.76 -144.68 17.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.368 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -150.12 157.39 43.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.983 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 85.6 m95 -73.52 122.08 21.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.9 p -114.79 138.19 51.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.659 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -71.83 143.67 49.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.744 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.38 156.72 39.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.691 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 141.56 55.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.775 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.57 138.59 51.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.589 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.601 HG23 ' HG3' ' D' ' 2' ' ' GLN . 56.0 m -128.55 156.67 42.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.11 137.58 52.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.762 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.2 m -136.64 126.38 25.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -80.76 124.8 29.35 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.633 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -99.11 122.26 42.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.261 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.88 155.72 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.929 0.395 . . . . 0.0 111.153 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 m -150.73 -70.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.958 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.853 0.359 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.62 ' HG3' HG23 ' C' ' 49' ' ' THR . 0.9 OUTLIER -91.94 125.63 36.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.065 179.249 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.474 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 44.1 m-85 -109.83 134.66 51.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -106.65 127.0 53.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.485 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.97 130.39 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.481 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 12.6 mt -97.41 132.14 42.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.433 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.531 HD22 ' HB2' ' B' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.219 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.679 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.6 t70 . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 121.402 0.62 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.477 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.75 -43.36 58.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.457 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.64 74.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.045 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.669 ' O ' HG23 ' B' ' 29' ' ' VAL . 27.5 m -63.3 -41.38 98.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.73 ' O ' HG23 ' B' ' 30' ' ' VAL . 59.3 t80 -64.94 -53.66 42.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.97 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 29.6 mt-10 -54.29 -48.95 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.033 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.7 -50.43 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 25' ' ' THR . 57.7 t -61.71 -39.65 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.73 HG23 ' O ' ' B' ' 26' ' ' PHE . 62.9 t -68.89 -45.88 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.789 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -64.37 -45.11 89.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.538 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -64.2 -43.47 94.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.405 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.645 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 3.9 t80 -67.28 -47.61 70.15 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.519 ' HB3' HG21 ' B' ' 39' ' ' VAL . 29.1 m-85 -78.21 -32.46 49.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -53.06 -29.14 28.27 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 122.033 -0.417 . . . . 0.0 111.112 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -61.24 -17.11 51.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.149 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.503 ' OD1' HG23 ' B' ' 39' ' ' VAL . 12.4 p30 -104.09 -18.01 14.71 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.59 17.54 2.11 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.68 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 34' ' ' PHE . 25.2 t -88.71 143.25 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.091 0.445 . . . . 0.0 110.836 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -153.12 178.04 10.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.916 0.389 . . . . 0.0 111.103 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.47 -144.5 17.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -150.3 157.35 42.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 85.5 m95 -73.63 122.16 21.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.112 0.482 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.404 HG21 ' OG1' ' D' ' 53' ' ' THR . 67.9 p -114.86 138.31 50.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.632 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -71.94 143.65 49.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.691 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.48 156.84 38.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.52 141.59 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.69 138.8 52.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.572 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.616 HG23 ' HG3' ' C' ' 2' ' ' GLN . 57.0 m -129.11 156.75 43.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.024 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -116.12 137.61 51.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.978 0.418 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 33.3 m -136.53 126.39 25.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.249 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -80.63 124.43 28.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.723 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.407 ' OG1' HG21 ' D' ' 44' ' ' THR . 84.7 m -98.92 122.31 42.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.272 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.07 155.6 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.86 0.362 . . . . 0.0 111.218 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.8 m -150.74 -70.5 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.047 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.877 0.37 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.616 ' HG3' HG23 ' B' ' 49' ' ' THR . 1.0 OUTLIER -91.87 125.72 36.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.978 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.469 ' CD1' ' CD1' ' D' ' 26' ' ' PHE . 43.3 m-85 -109.87 134.59 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.354 0.597 . . . . 0.0 112.494 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -106.54 126.73 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.48 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.75 130.16 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.426 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -97.01 133.2 39.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' C' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.286 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.431 ' O ' ' HB ' ' C' ' 25' ' ' THR . 14.2 t70 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 121.282 0.563 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.441 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -50.26 -43.29 53.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.378 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.67 -32.7 74.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.654 ' O ' HG23 ' C' ' 29' ' ' VAL . 28.7 m -63.21 -41.58 99.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.745 ' O ' HG23 ' C' ' 30' ' ' VAL . 59.0 t80 -64.84 -53.77 41.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.949 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 29.5 mt-10 -54.21 -48.82 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.083 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.86 -50.32 65.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.654 HG23 ' O ' ' C' ' 25' ' ' THR . 57.3 t -61.8 -39.66 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.745 HG23 ' O ' ' C' ' 26' ' ' PHE . 62.2 t -68.92 -45.68 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.745 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -64.5 -45.01 89.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.02 0.438 . . . . 0.0 110.59 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -64.35 -43.25 95.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.368 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.647 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 3.9 t80 -67.4 -47.66 69.64 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.516 ' HB3' HG21 ' C' ' 39' ' ' VAL . 29.1 m-85 -78.25 -32.28 49.61 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -53.27 -29.13 31.33 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.95 0.405 . . . . 0.0 111.14 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -61.25 -17.19 52.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.154 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.514 ' OD1' HG23 ' C' ' 39' ' ' VAL . 12.4 p30 -103.91 -18.14 14.73 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.84 17.27 2.1 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.783 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.516 HG21 ' HB3' ' C' ' 34' ' ' PHE . 24.7 t -88.31 143.3 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.099 0.45 . . . . 0.0 110.881 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -153.22 178.13 10.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.961 0.41 . . . . 0.0 111.082 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.23 -144.63 17.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.317 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -150.14 157.26 42.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 85.2 m95 -73.53 122.02 21.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.112 0.482 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.8 p -114.75 138.25 50.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.647 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.79 143.82 49.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.686 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.57 156.74 39.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.51 141.7 55.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.66 138.69 52.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.626 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' THR . . . . . 0.62 HG23 ' HG3' ' B' ' 2' ' ' GLN . 56.5 m -128.63 156.59 43.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.02 137.73 51.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 33.2 m -136.82 126.34 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.229 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -80.67 124.6 29.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.637 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -99.05 122.29 42.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.257 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.84 155.71 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.375 . . . . 0.0 111.159 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 72.4 m -150.74 -70.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.947 179.853 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 2' ' ' GLN . . . . . 0.601 ' HG3' HG23 ' A' ' 49' ' ' THR . 0.9 OUTLIER -91.78 125.62 36.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.055 179.202 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.463 ' CD1' ' CD1' ' C' ' 26' ' ' PHE . 43.7 m-85 -109.81 134.5 51.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.381 0.61 . . . . 0.0 112.405 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -106.5 126.79 52.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.477 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.63 130.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.424 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -97.14 132.99 40.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' D' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.302 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.9 t70 . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 121.31 0.576 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.444 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -50.44 -43.44 55.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.352 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.51 73.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.663 ' O ' HG23 ' D' ' 29' ' ' VAL . 28.9 m -63.23 -41.56 99.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.356 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.75 ' O ' HG23 ' D' ' 30' ' ' VAL . 59.0 t80 -64.89 -53.74 41.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.964 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 29.7 mt-10 -54.3 -48.78 70.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.098 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -65.81 -50.39 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.663 HG23 ' O ' ' D' ' 25' ' ' THR . 57.9 t -61.7 -39.63 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.75 HG23 ' O ' ' D' ' 26' ' ' PHE . 61.7 t -68.97 -45.8 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.752 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -64.36 -45.04 89.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.01 0.433 . . . . 0.0 110.522 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -64.38 -43.46 94.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.32 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.64 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 3.9 t80 -67.26 -47.59 70.25 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.501 ' HB3' HG21 ' D' ' 39' ' ' VAL . 29.3 m-85 -78.3 -32.27 49.27 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -53.27 -29.14 31.4 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.899 0.381 . . . . 0.0 111.086 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -61.2 -17.18 51.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.064 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.511 ' OD1' HG23 ' D' ' 39' ' ' VAL . 12.4 p30 -103.93 -18.1 14.74 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.61 17.57 2.1 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.211 -0.995 . . . . 0.0 113.688 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.511 HG23 ' OD1' ' D' ' 37' ' ' ASN . 25.9 t -88.67 143.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 117.094 0.447 . . . . 0.0 110.799 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -153.06 178.27 9.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.916 0.389 . . . . 0.0 111.101 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.15 -144.71 17.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.354 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -150.13 157.31 42.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.971 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 85.0 m95 -73.61 122.07 21.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.077 0.465 . . . . 0.0 111.111 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 44' ' ' THR . . . . . 0.407 HG21 ' OG1' ' B' ' 53' ' ' THR . 66.8 p -114.74 138.14 51.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.669 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.76 143.51 49.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.742 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.36 156.71 39.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.763 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.37 141.53 55.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.748 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.58 138.49 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.57 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 49' ' ' THR . . . . . 0.61 HG23 ' HG3' ' A' ' 2' ' ' GLN . 55.2 m -128.29 156.57 42.83 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.13 137.33 52.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.782 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 34.0 m -136.58 126.41 25.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.251 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -80.58 124.44 28.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.666 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 53' ' ' THR . . . . . 0.404 ' OG1' HG21 ' B' ' 44' ' ' THR . 85.1 m -98.85 122.26 41.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.338 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.02 155.7 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.401 . . . . 0.0 111.187 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 73.2 m -150.71 -70.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.982 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.756 0.313 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.18 123.12 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.657 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 36.0 m-85 -108.67 129.53 55.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.347 0.594 . . . . 0.0 112.098 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.2 125.64 51.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.605 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.505 HG12 HD12 ' A' ' 7' ' ' LEU . 17.5 t -142.34 125.58 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.247 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.58 124.57 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.491 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.758 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.077 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.1 t70 . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 121.337 0.589 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.57 -42.99 56.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.328 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.45 -29.52 69.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' VAL . 87.2 m -62.2 -39.41 92.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.075 0.464 . . . . 0.0 110.401 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 30' ' ' VAL . 16.9 t80 -67.82 -50.41 56.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.861 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -53.75 -54.63 35.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.368 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.75 -50.44 64.74 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.652 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 55.3 t -62.96 -42.21 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.2 t -70.57 -45.77 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.32 -46.08 88.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.076 0.465 . . . . 0.0 110.399 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.59 -46.79 86.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.25 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.648 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.5 t80 -67.13 -45.9 75.72 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.75 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 35.4 m-85 -75.07 -34.63 61.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -55.38 -31.65 61.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.016 0.436 . . . . 0.0 110.931 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.14 -17.62 58.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.062 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' A' ' 39' ' ' VAL . 17.9 p30 -105.53 -21.54 13.19 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.0 14.31 1.85 Allowed Glycine 0 CA--C 1.523 0.58 0 C-N-CA 120.308 -0.948 . . . . 0.0 114.239 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.662 HG23 ' OD1' ' A' ' 37' ' ' ASN . 31.6 t -88.96 143.29 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 117.581 0.69 . . . . 0.0 110.492 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.5 179.03 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 111.104 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.87 -144.82 17.59 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.391 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -149.01 156.13 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -73.89 118.15 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.14 0.495 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.2 p -110.91 141.28 44.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.527 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -69.75 143.98 52.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.897 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.32 159.26 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.033 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.32 128.97 38.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.515 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.28 142.35 32.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.868 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -136.49 156.6 48.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -124.27 119.85 30.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.988 0.423 . . . . 0.0 111.426 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.4 m -106.58 131.94 53.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.394 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -80.47 117.33 21.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.293 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -91.51 124.11 35.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.408 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 55' ' ' THR . 8.6 t -72.03 156.81 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.982 0.42 . . . . 0.0 111.112 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.428 ' N ' HG12 ' A' ' 54' ' ' VAL . 69.8 m -150.13 -69.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.825 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.046 179.845 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.25 122.99 31.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.655 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.42 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 36.0 m-85 -108.65 129.4 55.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.291 0.567 . . . . 0.0 112.143 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.07 125.74 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.62 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.52 HG12 HD12 ' B' ' 7' ' ' LEU . 17.5 t -142.41 125.57 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.281 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.55 124.46 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.441 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.75 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.172 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' B' ' 25' ' ' THR . 29.1 t70 . . . . . 0 CA--C 1.521 -0.173 0 CA-C-O 121.402 0.62 . . . . 0.0 111.641 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.5 -43.0 55.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.284 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.56 69.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.591 ' O ' HG23 ' B' ' 29' ' ' VAL . 88.3 m -62.08 -39.47 92.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.054 0.454 . . . . 0.0 110.421 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.62 ' O ' HG23 ' B' ' 30' ' ' VAL . 16.9 t80 -67.9 -50.42 56.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.805 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -53.8 -54.46 38.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.335 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -65.95 -50.33 64.73 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.648 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 56.1 t -62.93 -42.25 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 26' ' ' PHE . 57.3 t -70.55 -45.93 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.2 -45.99 89.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.986 0.422 . . . . 0.0 110.445 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.53 -46.9 86.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.216 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.652 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.6 t80 -67.13 -45.98 75.5 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.758 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 35.3 m-85 -74.96 -34.72 62.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -55.33 -31.65 61.88 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.042 0.449 . . . . 0.0 110.899 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.13 -17.69 58.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.023 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' B' ' 39' ' ' VAL . 17.8 p30 -105.43 -21.64 13.18 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.01 14.41 1.84 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.284 -0.96 . . . . 0.0 114.161 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.662 HG23 ' OD1' ' B' ' 37' ' ' ASN . 30.5 t -89.0 143.31 11.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 117.622 0.711 . . . . 0.0 110.554 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.63 178.87 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.03 -144.9 17.55 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.416 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -148.92 156.13 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.75 118.14 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.159 0.504 . . . . 0.0 111.222 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 60.5 p -110.97 141.31 44.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.412 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -69.85 144.15 52.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.864 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.46 159.15 34.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.956 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.29 129.15 38.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.434 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.57 142.42 33.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.115 0.483 . . . . 0.0 111.859 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -136.44 156.61 48.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.511 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -124.36 119.72 30.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.981 0.42 . . . . 0.0 111.385 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -106.5 132.05 52.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.402 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -80.47 117.33 21.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.27 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 84.8 m -91.53 124.01 35.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.468 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.436 HG12 ' N ' ' B' ' 55' ' ' THR . 8.6 t -71.91 156.93 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.968 0.413 . . . . 0.0 111.146 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.436 ' N ' HG12 ' B' ' 54' ' ' VAL . 70.3 m -150.25 -69.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.759 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.992 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.428 ' HA ' ' HE3' ' C' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.709 0.29 . . . . 0.0 111.167 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.18 123.14 31.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 36.1 m-85 -108.73 129.53 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.326 0.584 . . . . 0.0 112.073 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.19 125.58 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.593 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.513 HG12 HD12 ' C' ' 7' ' ' LEU . 17.2 t -142.31 125.56 14.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.309 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.1 mt -93.59 124.46 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.434 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.741 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.079 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.9 t70 . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 121.406 0.622 . . . . 0.0 111.603 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.63 -42.93 56.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.246 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -29.53 68.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.607 ' O ' HG23 ' C' ' 29' ' ' VAL . 90.0 m -62.14 -39.43 92.56 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.048 0.452 . . . . 0.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.631 ' O ' HG23 ' C' ' 30' ' ' VAL . 16.8 t80 -67.78 -50.5 56.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.832 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -53.72 -54.63 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.283 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.74 -50.49 64.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 55.3 t -62.94 -42.21 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.631 HG23 ' O ' ' C' ' 26' ' ' PHE . 57.3 t -70.5 -45.98 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -63.17 -46.05 88.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.087 0.47 . . . . 0.0 110.439 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.54 -46.96 85.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.21 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.651 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.6 t80 -67.07 -45.81 76.19 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.755 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 35.5 m-85 -75.07 -34.71 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -55.27 -31.73 61.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.024 0.44 . . . . 0.0 110.902 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.18 -17.52 58.33 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.994 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.675 ' OD1' HG23 ' C' ' 39' ' ' VAL . 17.9 p30 -105.52 -21.61 13.17 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.0 14.41 1.84 Allowed Glycine 0 CA--C 1.523 0.542 0 C-N-CA 120.323 -0.942 . . . . 0.0 114.178 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.675 HG23 ' OD1' ' C' ' 37' ' ' ASN . 31.7 t -89.03 143.27 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 117.614 0.707 . . . . 0.0 110.52 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.51 179.1 9.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.03 0.443 . . . . 0.0 111.086 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.89 -144.72 17.53 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.364 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -149.01 156.2 41.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.85 118.12 16.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.163 0.506 . . . . 0.0 111.214 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.6 p -110.99 141.29 44.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.499 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -69.82 144.04 52.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.833 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.36 159.25 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.33 129.16 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.499 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.53 142.48 33.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.112 0.482 . . . . 0.0 111.803 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -136.53 156.56 48.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.541 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -124.34 119.71 30.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.034 0.445 . . . . 0.0 111.461 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 44.7 m -106.37 131.95 52.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.388 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -80.45 117.27 21.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.264 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -91.45 124.0 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.411 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.436 HG12 ' N ' ' C' ' 55' ' ' THR . 8.9 t -71.97 156.88 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 0.0 111.151 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.436 ' N ' HG12 ' C' ' 54' ' ' VAL . 71.1 m -150.18 -69.38 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.781 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.075 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.758 0.313 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -87.12 123.06 31.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.682 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.417 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.0 m-85 -108.61 129.43 55.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.234 0.54 . . . . 0.0 112.119 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -106.17 125.78 51.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.598 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.511 HG12 HD12 ' D' ' 7' ' ' LEU . 17.2 t -142.41 125.52 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.258 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.49 124.48 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.506 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.755 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.111 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' D' ' 25' ' ' THR . 29.1 t70 . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 121.473 0.654 . . . . 0.0 111.503 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.65 -42.9 56.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.241 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.57 -29.59 68.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.607 ' O ' HG23 ' D' ' 29' ' ' VAL . 86.8 m -62.15 -39.27 92.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.43 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' D' ' 30' ' ' VAL . 17.0 t80 -67.98 -50.39 55.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.811 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.71 -54.63 35.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.276 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.95 -50.35 64.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.651 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 55.8 t -62.95 -42.23 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.635 HG23 ' O ' ' D' ' 26' ' ' PHE . 57.6 t -70.49 -45.91 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.22 -46.04 88.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.008 0.432 . . . . 0.0 110.386 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.58 -46.85 86.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.238 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.6 t80 -67.08 -45.91 75.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.741 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 35.6 m-85 -75.13 -34.53 61.67 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -55.4 -31.65 62.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.1 0.476 . . . . 0.0 110.966 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.15 -17.63 58.5 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.003 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.669 ' OD1' HG23 ' D' ' 39' ' ' VAL . 17.9 p30 -105.53 -21.55 13.19 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.85 14.54 1.85 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.33 -0.938 . . . . 0.0 114.234 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.669 HG23 ' OD1' ' D' ' 37' ' ' ASN . 31.4 t -89.11 143.31 11.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 117.541 0.671 . . . . 0.0 110.505 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.59 178.93 9.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.02 -144.95 17.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.295 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -148.92 156.15 41.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.89 118.2 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.231 0.539 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 60.9 p -110.99 141.26 44.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.5 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -69.78 144.03 52.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.923 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 159.25 34.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.36 128.98 38.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.47 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.29 142.3 32.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.897 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -136.46 156.6 48.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.537 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -124.25 119.72 30.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 111.458 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 44.7 m -106.42 132.07 52.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.389 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -80.54 117.35 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -91.48 124.0 35.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.472 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.435 HG12 ' N ' ' D' ' 55' ' ' THR . 8.7 t -71.89 156.95 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.937 0.399 . . . . 0.0 111.144 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.435 ' N ' HG12 ' D' ' 54' ' ' VAL . 70.9 m -150.33 -69.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.803 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.97 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.859 0.362 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -88.86 124.55 34.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.804 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.67 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 42.4 m-85 -112.8 132.11 55.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.405 0.621 . . . . 0.0 112.355 -179.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -106.36 128.39 53.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.91 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.34 124.09 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.933 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' B' ' 1' ' ' MET . 34.5 mt -96.95 117.19 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.871 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.181 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.0 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.2 t70 . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 121.208 0.528 . . . . 0.0 111.653 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.695 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -51.29 -43.66 61.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.374 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -30.41 70.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.195 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 29' ' ' VAL . 27.2 m -62.09 -36.45 81.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.049 0.452 . . . . 0.0 110.224 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.684 ' O ' HG23 ' A' ' 30' ' ' VAL . 37.3 t80 -67.09 -47.66 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.692 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.98 -51.03 70.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.008 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -67.27 -48.89 66.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 25' ' ' THR . 59.3 t -62.13 -40.71 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 26' ' ' PHE . 60.6 t -71.87 -45.56 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -62.63 -46.11 89.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.014 0.435 . . . . 0.0 110.764 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -63.09 -45.84 90.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.355 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.5 t80 -68.03 -46.58 70.8 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.686 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 39.7 m-85 -75.02 -30.93 61.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -56.62 -30.56 63.4 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 111.194 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.2 -17.88 59.47 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.274 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.7 p30 -106.27 -21.09 13.2 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.49 13.31 1.88 Allowed Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.26 -0.971 . . . . 0.0 114.084 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.655 HG23 ' OD1' ' A' ' 37' ' ' ASN . 24.3 t -88.73 143.39 11.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 117.611 0.706 . . . . 0.0 110.546 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -157.96 -178.98 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.084 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.24 -145.07 17.52 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.216 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -148.34 155.3 41.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -74.26 115.29 13.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.22 142.19 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.441 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.35 144.79 51.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.877 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.37 158.8 35.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.07 129.97 41.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.55 141.18 32.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.065 0.46 . . . . 0.0 112.128 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -138.6 156.66 47.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.577 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -126.03 123.32 38.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 111.245 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.2 m -107.74 134.21 51.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.434 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.59 116.43 20.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.26 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.3 m -90.77 122.73 33.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.329 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -71.46 155.64 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 111.229 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 m -149.88 -69.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.886 -179.811 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 6.6 tpt . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -88.7 124.53 34.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.819 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.695 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 41.9 m-85 -112.82 132.06 55.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.389 0.614 . . . . 0.0 112.461 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -106.42 128.4 54.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.96 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.19 124.1 13.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.932 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 35.7 mt -96.84 117.17 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.839 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.686 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.017 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.463 ' O ' ' HB ' ' B' ' 25' ' ' THR . 12.6 t70 . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 121.265 0.555 . . . . 0.0 111.549 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.67 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.43 -43.28 61.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.291 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.49 70.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.176 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.653 ' O ' HG23 ' B' ' 29' ' ' VAL . 26.0 m -62.14 -36.26 81.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.206 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.69 ' O ' HG23 ' B' ' 30' ' ' VAL . 37.8 t80 -67.23 -47.68 70.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.719 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.96 -51.14 70.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.951 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -67.08 -48.79 67.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 25' ' ' THR . 60.4 t -62.24 -40.6 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 26' ' ' PHE . 61.3 t -71.92 -45.49 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -62.74 -45.93 90.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 110.734 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.38 -45.73 89.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.228 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.5 t80 -68.06 -46.54 70.79 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.665 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 39.9 m-85 -75.08 -31.02 61.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -56.65 -30.53 63.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.256 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -62.33 -17.66 59.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.261 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.661 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.6 p30 -106.32 -21.11 13.19 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.28 13.28 1.93 Allowed Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.32 -0.943 . . . . 0.0 114.252 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.661 HG23 ' OD1' ' B' ' 37' ' ' ASN . 24.5 t -88.74 143.29 11.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 117.535 0.668 . . . . 0.0 110.611 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -157.89 -179.16 7.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 111.095 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.44 -144.8 17.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.148 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -148.59 155.29 40.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -74.31 115.43 13.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.165 0.507 . . . . 0.0 111.19 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 31.1 p -110.35 142.01 42.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.472 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.28 144.57 51.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.839 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.22 158.86 35.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.1 130.15 42.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.686 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.59 141.05 33.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.085 0.469 . . . . 0.0 112.093 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -138.41 156.55 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.425 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -126.09 123.44 38.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 0.0 111.2 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 31.3 m -107.95 134.37 50.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.45 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.65 116.54 20.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.255 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 86.2 m -90.99 122.46 33.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.353 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.403 HG12 ' N ' ' B' ' 55' ' ' THR . 4.9 t -71.25 155.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.871 0.367 . . . . 0.0 111.24 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.403 ' N ' HG12 ' B' ' 54' ' ' VAL . 61.8 m -149.92 -69.67 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.923 -179.876 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.829 0.347 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -88.83 124.56 34.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.673 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 42.4 m-85 -112.83 132.26 55.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.411 0.625 . . . . 0.0 112.443 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -106.42 128.33 53.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.973 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.24 124.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.006 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -97.15 117.19 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.926 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.698 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.97 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.467 ' O ' ' HB ' ' C' ' 25' ' ' THR . 12.0 t70 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 121.528 0.68 . . . . 0.0 112.439 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.655 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -51.88 -43.65 63.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.423 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -30.48 70.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.659 ' O ' HG23 ' C' ' 29' ' ' VAL . 25.7 m -62.18 -36.17 81.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.212 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.673 ' O ' HG23 ' C' ' 30' ' ' VAL . 38.4 t80 -67.16 -47.84 69.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.669 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.92 -51.17 70.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.931 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -66.96 -48.9 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.659 HG23 ' O ' ' C' ' 25' ' ' THR . 60.3 t -62.22 -40.57 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.673 HG23 ' O ' ' C' ' 26' ' ' PHE . 60.5 t -72.08 -45.48 62.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -62.73 -46.04 89.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 0.0 110.661 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.27 -45.91 89.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.317 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.501 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.5 t80 -67.94 -46.54 71.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.706 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 39.9 m-85 -75.02 -31.06 61.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -56.57 -30.52 63.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 111.2 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.22 -17.88 59.52 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.306 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.664 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.7 p30 -106.22 -20.93 13.25 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.15 13.42 1.94 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.293 -0.956 . . . . 0.0 114.216 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.664 HG23 ' OD1' ' C' ' 37' ' ' ASN . 23.7 t -88.84 143.29 11.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.551 0.676 . . . . 0.0 110.678 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -158.05 -179.34 8.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.946 0.403 . . . . 0.0 111.192 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.83 -144.89 17.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.144 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -148.24 155.23 41.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.374 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.32 115.27 13.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.231 0.538 . . . . 0.0 111.193 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.23 142.14 42.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.403 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.31 144.61 51.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.868 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.18 158.9 35.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.99 129.92 41.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.716 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.23 140.8 31.58 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.009 0.433 . . . . 0.0 111.947 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -138.5 156.57 47.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.57 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -126.32 123.19 37.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.013 0.435 . . . . 0.0 111.325 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -107.54 134.46 50.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.486 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.57 116.35 20.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -90.81 122.58 33.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.327 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.403 HG12 ' N ' ' C' ' 55' ' ' THR . 4.8 t -71.46 156.03 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.959 0.409 . . . . 0.0 111.193 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.403 ' N ' HG12 ' C' ' 54' ' ' VAL . 64.8 m -150.28 -69.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.002 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.932 -179.753 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -88.63 124.53 34.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.592 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.655 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 42.2 m-85 -112.82 132.27 55.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.46 0.648 . . . . 0.0 112.504 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -106.37 128.38 53.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.953 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.33 124.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 34.2 mt -97.02 117.18 41.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.856 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.706 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.468 ' O ' ' HB ' ' D' ' 25' ' ' THR . 12.8 t70 . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 121.328 0.585 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.673 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -51.38 -43.52 61.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.317 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.26 -30.65 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.652 ' O ' HG23 ' D' ' 29' ' ' VAL . 26.6 m -62.04 -36.3 81.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.186 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.679 ' O ' HG23 ' D' ' 30' ' ' VAL . 36.8 t80 -67.12 -47.89 69.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.663 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.78 -51.24 69.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.924 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -67.13 -48.82 66.94 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.652 HG23 ' O ' ' D' ' 25' ' ' THR . 61.7 t -62.27 -40.67 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.679 HG23 ' O ' ' D' ' 26' ' ' PHE . 60.7 t -71.84 -45.75 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -62.47 -46.05 90.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.985 0.421 . . . . 0.0 110.764 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.32 -45.74 89.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.295 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.6 t80 -68.11 -46.57 70.55 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.698 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 40.4 m-85 -75.02 -30.97 61.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -56.64 -30.49 63.38 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.267 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.28 -17.8 59.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.273 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.7 p30 -106.28 -21.06 13.21 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.36 13.37 1.9 Allowed Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.296 -0.954 . . . . 0.0 114.231 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.655 HG23 ' OD1' ' D' ' 37' ' ' ASN . 24.0 t -88.83 143.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 117.587 0.693 . . . . 0.0 110.601 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -158.0 -179.33 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.16 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 -144.98 17.34 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.18 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -148.27 155.27 41.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.41 . . . . 0.0 110.922 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.29 115.45 13.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.46 142.22 42.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.44 144.75 51.39 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.915 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.29 158.75 35.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.9 130.03 41.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.478 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.74 141.3 33.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.111 0.482 . . . . 0.0 112.07 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -138.52 156.67 47.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -126.2 123.48 38.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 111.334 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 30.8 m -107.87 134.22 51.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.473 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.47 116.35 20.47 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -90.81 122.5 33.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.281 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.27 155.55 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 0.0 111.111 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.1 m -149.71 -69.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.03 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.865 -179.838 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.812 0.339 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -88.06 123.41 32.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.554 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 39.1 m-85 -108.27 127.89 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.279 0.562 . . . . 0.0 111.823 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.65 125.44 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.688 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.19 127.27 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.575 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.2 mt -93.88 119.05 41.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.808 HD11 ' CE1' ' B' ' 34' ' ' PHE . 4.5 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' A' ' 25' ' ' THR . 28.3 t0 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 121.319 0.58 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.557 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -54.25 -41.2 68.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.133 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.13 -32.74 74.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.78 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.685 ' O ' HG23 ' A' ' 29' ' ' VAL . 22.3 m -62.9 -35.89 81.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.049 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.735 ' O ' HG23 ' A' ' 30' ' ' VAL . 27.6 t80 -65.14 -50.2 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.92 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.18 -50.53 70.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.176 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -67.27 -47.94 69.17 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.697 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 64.1 t -62.16 -40.46 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.0 t -69.73 -45.27 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -64.62 -45.59 86.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.641 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -64.07 -44.24 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.159 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.68 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.47 -47.25 70.63 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.786 ' CE1' HD11 ' B' ' 7' ' ' LEU . 36.8 m-85 -77.32 -32.03 54.97 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -53.76 -30.64 45.36 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.967 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.93 -18.47 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.639 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -101.54 -20.4 15.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.798 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.7 16.73 2.98 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.319 -0.943 . . . . 0.0 113.272 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 34' ' ' PHE . 31.9 t -88.38 143.35 11.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.92 0.36 . . . . 0.0 110.45 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -155.88 -178.95 7.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.988 0.423 . . . . 0.0 111.237 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.23 -144.86 18.26 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.316 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -148.91 156.31 42.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -72.34 122.5 21.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.6 p -114.79 138.61 50.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.593 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -71.46 142.21 50.21 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.641 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.19 159.24 35.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.83 135.16 53.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.75 140.7 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.686 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.85 156.41 48.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.765 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -120.31 146.43 46.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.995 0.426 . . . . 0.0 110.977 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -138.59 129.42 26.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.26 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -81.36 121.2 25.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.411 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -94.78 124.34 38.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.226 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 55' ' ' THR . 6.6 t -70.82 156.49 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 111.09 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.413 ' N ' HG12 ' A' ' 54' ' ' VAL . 61.9 m -149.3 -69.34 0.21 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.011 179.882 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.83 0.347 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -87.97 123.39 32.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.561 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.557 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 39.1 m-85 -108.26 127.87 54.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.132 0.491 . . . . 0.0 111.917 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.61 125.43 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.71 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.18 127.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.479 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 35.2 mt -93.96 118.9 40.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.901 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.786 HD11 ' CE1' ' A' ' 34' ' ' PHE . 4.5 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.447 ' O ' ' HB ' ' B' ' 25' ' ' THR . 28.1 t0 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 121.345 0.593 . . . . 0.0 111.996 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.554 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -54.19 -41.18 68.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.191 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.15 -32.64 74.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.69 ' O ' HG23 ' B' ' 29' ' ' VAL . 22.7 m -62.94 -35.85 81.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.034 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.732 ' O ' HG23 ' B' ' 30' ' ' VAL . 27.4 t80 -65.14 -50.25 66.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.96 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.29 -50.45 71.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.075 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -67.38 -47.91 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 25' ' ' THR . 63.9 t -62.08 -40.51 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 26' ' ' PHE . 62.1 t -69.69 -45.51 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -64.54 -45.48 86.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.923 0.392 . . . . 0.0 110.684 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -64.02 -44.28 93.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.697 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.8 t80 -67.42 -47.34 70.54 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.808 ' CE1' HD11 ' A' ' 7' ' ' LEU . 36.7 m-85 -77.3 -31.97 55.09 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -53.8 -30.61 45.66 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.985 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.02 -18.4 60.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.571 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -101.52 -20.56 15.04 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.74 16.78 2.96 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.344 -0.931 . . . . 0.0 113.28 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' B' ' 34' ' ' PHE . 30.5 t -88.35 143.25 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.934 0.367 . . . . 0.0 110.567 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -155.82 -178.77 7.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.103 0.478 . . . . 0.0 111.224 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.03 -145.0 18.37 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.41 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -148.75 156.17 41.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.9 0.381 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.25 122.47 21.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -114.73 138.61 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.585 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -71.42 142.3 50.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.645 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.26 159.07 35.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.771 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.8 135.2 53.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.727 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.83 140.59 41.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.695 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.71 156.39 48.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.82 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -120.19 146.42 46.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.41 . . . . 0.0 111.061 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 16.6 m -138.56 129.36 26.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.265 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -81.35 121.19 25.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.412 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -94.62 124.33 38.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.234 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.421 HG12 ' N ' ' B' ' 55' ' ' THR . 6.7 t -70.87 156.53 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 111.093 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.421 ' N ' HG12 ' B' ' 54' ' ' VAL . 63.1 m -149.32 -69.53 0.21 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.009 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -88.01 123.42 32.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.566 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 39.2 m-85 -108.2 127.78 54.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.162 0.506 . . . . 0.0 111.902 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.62 125.35 50.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.679 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.16 127.38 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.479 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 35.1 mt -93.85 118.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.805 HD11 ' CE1' ' D' ' 34' ' ' PHE . 4.5 tp . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.849 0.357 . . . . 0.0 111.012 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.0 t0 . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 121.338 0.589 . . . . 0.0 111.81 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.562 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -54.33 -41.13 68.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.119 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.65 74.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.673 ' O ' HG23 ' C' ' 29' ' ' VAL . 22.6 m -62.86 -35.9 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.064 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.737 ' O ' HG23 ' C' ' 30' ' ' VAL . 27.5 t80 -65.12 -50.36 66.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.844 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.18 -50.51 71.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.131 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -67.32 -47.95 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.686 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 64.4 t -62.09 -40.48 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.737 HG23 ' O ' ' C' ' 26' ' ' PHE . 61.5 t -69.67 -45.46 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -64.55 -45.62 86.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.626 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.97 -44.27 93.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.183 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.682 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.8 t80 -67.4 -47.3 70.7 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.807 ' CE1' HD11 ' D' ' 7' ' ' LEU . 37.0 m-85 -77.39 -31.9 54.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -53.76 -30.74 45.76 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.994 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.94 -18.45 60.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.605 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -101.47 -20.54 15.07 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.73 16.73 2.97 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.279 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' C' ' 34' ' ' PHE . 30.6 t -88.26 143.3 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.902 0.351 . . . . 0.0 110.507 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -155.86 -178.8 7.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.065 0.459 . . . . 0.0 111.288 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.09 -145.01 18.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.348 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.74 156.19 42.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.26 122.51 21.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.189 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.6 p -114.77 138.57 50.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.529 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.38 142.24 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.611 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.25 159.26 34.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.05 135.29 53.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.674 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.88 140.71 41.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.796 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.83 156.37 48.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.752 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -120.1 146.5 45.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 111.089 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -138.63 129.37 26.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.208 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -81.35 121.26 25.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.454 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 92.4 m -94.84 124.3 38.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.31 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.417 HG12 ' N ' ' C' ' 55' ' ' THR . 6.6 t -70.72 156.46 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.92 0.391 . . . . 0.0 111.061 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.417 ' N ' HG12 ' C' ' 54' ' ' VAL . 62.5 m -149.27 -69.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.957 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -87.97 123.42 32.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.562 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 39.3 m-85 -108.34 127.78 54.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.296 0.57 . . . . 0.0 111.871 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.59 125.44 51.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.671 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.15 127.21 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.56 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 35.3 mt -93.85 119.03 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.807 HD11 ' CE1' ' C' ' 34' ' ' PHE . 4.5 tp . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.974 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' D' ' 25' ' ' THR . 27.8 t0 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 121.291 0.567 . . . . 0.0 111.787 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.566 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -54.26 -41.1 68.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.125 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.14 -32.77 74.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.048 0.452 . . . . 0.0 110.91 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.673 ' O ' HG23 ' D' ' 29' ' ' VAL . 22.6 m -62.82 -35.87 81.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.03 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.753 ' O ' HG23 ' D' ' 30' ' ' VAL . 27.7 t80 -65.18 -50.27 66.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.864 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -56.31 -50.4 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.844 -0.617 . . . . 0.0 112.118 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -67.28 -48.1 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.682 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 64.5 t -62.11 -40.34 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.753 HG23 ' O ' ' D' ' 26' ' ' PHE . 62.1 t -69.84 -45.37 77.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -64.52 -45.66 86.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.972 0.415 . . . . 0.0 110.569 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.98 -44.28 93.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.162 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.686 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.8 t80 -67.39 -47.29 70.77 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.805 ' CE1' HD11 ' C' ' 7' ' ' LEU . 36.9 m-85 -77.35 -31.94 54.77 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -53.85 -30.7 46.69 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.941 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.96 -18.34 60.06 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.656 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -101.62 -20.4 15.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.784 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.63 16.8 2.99 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.299 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.422 HG21 ' HB3' ' D' ' 34' ' ' PHE . 32.4 t -88.43 143.32 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.933 0.367 . . . . 0.0 110.527 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -155.85 -178.85 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.015 0.436 . . . . 0.0 111.334 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.09 -144.91 18.32 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.401 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -148.85 156.22 42.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -72.29 122.53 21.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.6 p -114.78 138.61 50.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -71.42 142.2 50.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.639 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.25 159.23 34.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.9 135.31 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.736 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.96 140.74 42.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.765 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 8.9 m -133.86 156.32 48.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.756 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -120.1 146.4 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -138.54 129.39 26.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.28 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.3 121.23 25.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.507 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.0 m -94.68 124.39 38.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.331 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.417 HG12 ' N ' ' D' ' 55' ' ' THR . 6.7 t -70.88 156.51 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.387 . . . . 0.0 111.003 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.417 ' N ' HG12 ' D' ' 54' ' ' VAL . 62.2 m -149.33 -69.38 0.21 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.974 179.824 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -88.07 123.09 32.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.212 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.425 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.2 m-85 -108.87 130.16 55.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.325 0.583 . . . . 0.0 112.143 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -106.57 129.12 54.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 7' ' ' LEU . 14.1 t -142.38 127.4 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -95.16 123.57 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.234 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.762 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.261 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 25' ' ' THR . 36.1 t70 . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.74 -43.06 57.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.176 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.68 -28.79 67.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.293 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.8 m -62.56 -38.5 90.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.764 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 30' ' ' VAL . 16.5 t80 -68.85 -45.27 71.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.673 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 1.5 tt0 -56.21 -55.53 32.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.202 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -67.14 -48.53 67.77 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.641 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 58.4 t -63.29 -42.5 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 26' ' ' PHE . 59.5 t -70.74 -45.73 72.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -63.55 -45.73 89.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 110.619 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -63.13 -45.53 91.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.9 t80 -67.65 -46.41 72.52 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.742 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 36.6 m-85 -75.85 -34.79 60.07 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.17 -32.07 54.46 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.98 0.419 . . . . 0.0 111.119 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -61.62 -17.72 56.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.036 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.63 ' OD1' HG23 ' A' ' 39' ' ' VAL . 16.5 p30 -105.76 -21.41 13.18 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.47 13.34 1.89 Allowed Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.116 -1.04 . . . . 0.0 114.232 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.63 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.0 t -89.69 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.46 0.63 . . . . 0.0 110.907 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -158.46 -177.37 6.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.389 . . . . 0.0 111.271 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.03 -145.15 18.4 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.303 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -147.46 154.69 41.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.951 0.405 . . . . 0.0 111.094 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 95.2 m95 -73.17 117.94 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.31 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.1 p -110.64 141.66 43.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.348 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.09 143.22 52.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.48 160.26 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -66.38 126.06 27.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 144.84 28.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.867 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -140.01 156.36 46.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.45 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -124.58 119.01 27.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.03 0.443 . . . . 0.0 111.307 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.5 m -104.06 132.56 50.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.18 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.35 114.73 20.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.231 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.4 m -86.88 123.16 31.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.466 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.2 155.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 111.073 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 m -149.49 -69.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.888 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.854 0.359 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.24 123.17 32.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.094 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -109.15 130.22 55.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.29 0.567 . . . . 0.0 112.049 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -106.61 129.38 54.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.546 HG12 HD12 ' B' ' 7' ' ' LEU . 14.3 t -142.3 127.26 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 28.8 mt -95.12 123.15 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.314 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.742 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.2 mp . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' B' ' 25' ' ' THR . 36.2 t70 . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.314 0.578 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.31 -43.01 53.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.233 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.77 -28.87 67.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.352 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.58 ' O ' HG23 ' B' ' 29' ' ' VAL . 91.2 m -62.37 -38.78 90.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.796 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.608 ' O ' HG23 ' B' ' 30' ' ' VAL . 16.8 t80 -68.62 -45.23 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.7 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 1.5 tt0 -56.31 -55.28 35.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.217 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.3 -48.5 67.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.633 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 58.5 t -63.32 -42.67 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 26' ' ' PHE . 59.1 t -70.59 -45.95 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -63.37 -45.63 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.684 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.21 -45.54 91.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.224 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.641 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.0 t80 -67.63 -46.38 72.65 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.762 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 36.7 m-85 -75.83 -34.84 60.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -54.15 -31.96 53.99 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.96 0.409 . . . . 0.0 111.185 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -61.79 -17.62 56.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.053 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.634 ' OD1' HG23 ' B' ' 39' ' ' VAL . 16.4 p30 -105.72 -21.35 13.2 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.4 13.38 1.89 Allowed Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.063 -1.065 . . . . 0.0 114.246 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.634 HG23 ' OD1' ' B' ' 37' ' ' ASN . 22.3 t -89.82 143.37 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 117.437 0.619 . . . . 0.0 110.886 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -158.47 -177.04 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 111.25 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.75 -145.17 18.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.44 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -147.33 154.77 41.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.432 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 95.0 m95 -73.45 118.04 15.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.351 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 64.6 p -110.74 141.74 43.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.264 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.16 143.4 52.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.72 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.69 160.09 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.012 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -66.35 126.08 27.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.3 145.22 27.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.918 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 22.3 m -140.18 156.46 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.523 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -124.61 119.07 27.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.033 0.444 . . . . 0.0 111.339 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 31.7 m -104.01 132.46 50.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.169 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -81.25 114.76 20.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.224 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.0 m -86.83 123.01 31.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.43 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.2 155.63 7.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.882 0.373 . . . . 0.0 111.106 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 m -149.34 -69.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.004 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.23 123.19 32.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.183 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.436 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.1 m-85 -108.99 130.23 55.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.366 0.603 . . . . 0.0 112.029 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -106.57 129.02 54.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.541 HG12 HD12 ' C' ' 7' ' ' LEU . 14.3 t -142.25 127.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 mt -95.06 123.4 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.303 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.76 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.2 mp . . . . . 0 C--N 1.331 -0.236 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.432 ' O ' ' HB ' ' C' ' 25' ' ' THR . 35.9 t70 . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.431 0.634 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.97 52.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.249 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.85 67.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.345 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.601 ' O ' HG23 ' C' ' 29' ' ' VAL . 86.5 m -62.49 -38.72 90.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.6 ' O ' HG23 ' C' ' 30' ' ' VAL . 16.5 t80 -68.66 -45.35 71.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.637 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 1.5 tt0 -56.11 -55.47 32.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.233 -179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.37 -48.38 67.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 56.9 t -63.22 -42.7 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.6 HG23 ' O ' ' C' ' 26' ' ' PHE . 60.4 t -70.7 -45.73 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -63.47 -45.66 89.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 0.0 110.682 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -63.16 -45.66 90.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.636 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.9 t80 -67.59 -46.31 72.99 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.741 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 36.5 m-85 -75.84 -34.77 60.1 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -54.21 -32.05 54.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.944 0.402 . . . . 0.0 111.162 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -61.76 -17.64 56.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.059 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.642 ' OD1' HG23 ' C' ' 39' ' ' VAL . 16.4 p30 -105.7 -21.69 13.13 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.72 13.25 1.85 Allowed Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.113 -1.041 . . . . 0.0 114.215 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.0 t -89.55 143.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 117.496 0.648 . . . . 0.0 110.95 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -158.43 -177.42 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.11 -145.14 18.37 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.303 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -147.28 154.86 41.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.4 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' TRP . . . . . 0.432 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 95.0 m95 -73.37 117.96 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 63.3 p -110.66 141.58 43.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.333 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.11 143.41 52.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.826 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.82 160.07 33.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.014 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.32 126.02 27.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 145.05 27.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.96 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 19.8 m -140.15 156.47 46.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.392 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -124.61 119.06 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.079 0.466 . . . . 0.0 111.376 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 31.5 m -104.12 132.55 50.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.169 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -81.26 114.76 20.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.194 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -86.87 123.08 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.483 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.08 155.69 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.1 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 68.1 m -149.46 -69.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.929 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.896 0.379 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.37 123.17 32.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.299 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.3 m-85 -109.06 130.08 55.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.349 0.595 . . . . 0.0 112.034 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -106.53 129.2 54.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.817 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.542 HG12 HD12 ' D' ' 7' ' ' LEU . 13.8 t -142.31 127.23 16.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 28.8 mt -95.14 123.51 47.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.349 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.741 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.2 mp . . . . . 0 C--N 1.331 -0.225 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' D' ' 25' ' ' THR . 35.7 t70 . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 121.408 0.623 . . . . 0.0 111.872 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.66 -43.1 57.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.22 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.66 -28.82 68.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.344 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' D' ' 29' ' ' VAL . 87.2 m -62.52 -38.48 90.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.787 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.616 ' O ' HG23 ' D' ' 30' ' ' VAL . 16.8 t80 -68.81 -45.21 71.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.705 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 1.5 tt0 -56.38 -55.39 34.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.234 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -67.11 -48.58 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.636 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 57.8 t -63.3 -42.45 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.616 HG23 ' O ' ' D' ' 26' ' ' PHE . 60.3 t -70.75 -45.84 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 32.6 tttt -63.33 -45.75 89.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.961 0.41 . . . . 0.0 110.642 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -63.12 -45.78 90.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.114 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.0 t80 -67.52 -46.31 73.2 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.76 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 36.6 m-85 -75.86 -34.91 60.05 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -54.15 -31.94 53.93 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.042 0.449 . . . . 0.0 111.193 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -61.74 -17.64 56.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.051 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.642 ' OD1' HG23 ' D' ' 39' ' ' VAL . 16.3 p30 -105.79 -21.43 13.17 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.43 13.37 1.89 Allowed Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.042 -1.075 . . . . 0.0 114.187 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' D' ' 37' ' ' ASN . 23.5 t -89.88 143.35 11.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 117.52 0.66 . . . . 0.0 110.824 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -158.33 -177.37 6.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.895 0.378 . . . . 0.0 111.246 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.07 -145.2 18.39 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.374 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -147.39 154.62 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.384 . . . . 0.0 111.031 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 43' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 95.2 m95 -73.18 118.11 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.353 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -110.79 141.64 43.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.317 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.13 143.21 52.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.51 160.39 32.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.066 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.56 125.98 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.752 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.05 144.72 27.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.061 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 19.4 m -139.89 156.32 46.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.368 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -124.62 118.88 27.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.047 0.451 . . . . 0.0 111.363 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 31.8 m -103.96 132.68 49.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.12 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -81.34 114.76 20.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.185 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 90.5 m -86.83 123.07 31.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.44 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.28 155.75 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 111.113 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.6 m -149.51 -69.38 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.931 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.799 0.333 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.87 122.59 33.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 38.3 m-85 -108.24 133.45 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.303 0.573 . . . . 0.0 112.18 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -106.56 131.47 53.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.805 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 7' ' ' LEU . 21.0 t -142.54 127.4 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -99.93 118.1 46.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.512 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.243 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 24.7 t70 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.392 0.615 . . . . 0.0 111.801 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.8 -43.38 65.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.236 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.6 -30.94 70.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.08 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 29' ' ' VAL . 75.9 m -63.03 -39.18 93.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.0 t80 -66.17 -46.1 78.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.849 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.05 -53.92 51.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.123 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -67.82 -49.06 64.33 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 61.5 t -64.08 -44.84 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 26' ' ' PHE . 56.8 t -69.34 -46.78 76.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -63.43 -45.28 91.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.911 0.386 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -64.73 -42.66 95.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.739 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.1 t80 -67.89 -47.6 68.37 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.545 ' HB3' HG21 ' A' ' 39' ' ' VAL . 30.3 m-85 -77.32 -32.83 55.55 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -53.76 -29.08 38.31 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.928 0.394 . . . . 0.0 111.189 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.21 -17.09 51.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.875 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.519 ' OD1' HG23 ' A' ' 39' ' ' VAL . 12.0 p30 -104.16 -14.93 15.68 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.26 17.25 3.02 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.557 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 34' ' ' PHE . 21.9 t -88.9 143.66 10.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 117.129 0.464 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -155.66 -178.98 7.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.016 0.436 . . . . 0.0 111.077 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.52 -143.42 18.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -150.78 157.93 43.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.022 0.439 . . . . 0.0 111.237 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -73.03 121.87 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.393 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.8 p -113.23 140.1 48.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.726 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.79 146.14 49.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.611 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.22 157.44 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 110.813 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.62 132.36 48.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.27 141.7 40.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.464 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.0 m -138.71 156.7 47.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.552 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -115.14 148.01 39.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.001 0.429 . . . . 0.0 111.18 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -141.49 128.69 20.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.939 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -81.42 117.97 22.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.489 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -95.5 126.15 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.255 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.37 155.34 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.915 0.388 . . . . 0.0 111.224 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.868 HG22 ' HG2' ' A' ' 56' ' ' GLU . 55.9 m -143.08 -75.79 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.357 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.868 ' HG2' HG22 ' A' ' 55' ' ' THR . 7.3 pt-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.904 0.383 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.72 122.41 32.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.468 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 38.1 m-85 -108.17 133.39 52.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.327 0.584 . . . . 0.0 112.267 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -106.41 131.49 53.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.827 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.496 HG12 HD12 ' B' ' 7' ' ' LEU . 21.3 t -142.58 127.2 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 mt -99.51 117.87 45.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 111.515 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.331 -0.228 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' B' ' 25' ' ' THR . 27.0 t70 . . . . . 0 CA--C 1.517 -0.307 0 CA-C-O 121.29 0.567 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.66 -42.94 65.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.197 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.99 -30.94 70.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.515 ' O ' HG23 ' B' ' 29' ' ' VAL . 74.9 m -63.12 -38.91 93.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.565 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.1 t80 -66.22 -46.11 78.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.824 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.11 -54.0 50.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.113 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -67.76 -49.11 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.572 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 61.8 t -64.1 -44.65 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 26' ' ' PHE . 56.1 t -69.5 -46.59 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -63.48 -45.43 90.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 110.798 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.66 -42.6 95.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.736 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.1 t80 -68.03 -47.41 68.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.565 ' HB3' HG21 ' B' ' 39' ' ' VAL . 30.5 m-85 -77.48 -32.49 54.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -53.97 -29.1 41.55 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.191 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -61.37 -17.05 52.15 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.829 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.503 ' OD1' HG23 ' B' ' 39' ' ' VAL . 11.2 p30 -104.28 -14.7 15.7 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.94 17.47 3.07 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.487 -0.863 . . . . 0.0 113.597 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' B' ' 34' ' ' PHE . 21.8 t -89.12 143.68 10.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.153 0.476 . . . . 0.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.72 -178.78 7.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.28 -143.68 18.06 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.505 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -150.58 157.88 43.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.402 . . . . 0.0 111.211 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -72.9 121.94 20.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.351 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 45.8 p -113.23 140.05 48.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.739 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.84 146.32 49.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.585 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.3 157.4 37.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.68 132.44 48.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 141.71 41.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.66 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -138.66 156.64 47.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.568 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -114.97 148.01 39.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.075 0.464 . . . . 0.0 111.169 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.59 128.73 20.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -81.47 118.44 22.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.48 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 89.3 m -96.04 126.01 40.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.155 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.11 155.31 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.355 . . . . 0.0 111.269 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.868 HG22 ' HG2' ' B' ' 56' ' ' GLU . 56.4 m -143.0 -76.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.393 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.868 ' HG2' HG22 ' B' ' 55' ' ' THR . 7.2 pt-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.739 0.304 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -89.74 122.53 32.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.745 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.471 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 37.9 m-85 -108.26 133.32 52.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.289 0.566 . . . . 0.0 112.206 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -106.45 131.6 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.82 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.505 HG12 HD12 ' C' ' 7' ' ' LEU . 20.8 t -142.58 127.33 16.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.007 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.68 118.34 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.471 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.249 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.412 ' O ' ' HB ' ' C' ' 25' ' ' THR . 25.6 t70 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 121.454 0.645 . . . . 0.0 111.673 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.83 -43.33 65.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.263 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.61 -30.95 70.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.509 ' O ' HG23 ' C' ' 29' ' ' VAL . 73.7 m -63.04 -39.07 93.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.742 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.569 ' O ' HG23 ' C' ' 30' ' ' VAL . 18.8 t80 -66.2 -45.99 78.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.859 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.2 -53.85 52.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.154 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -67.85 -48.88 64.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.573 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 61.5 t -64.29 -44.69 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.569 HG23 ' O ' ' C' ' 26' ' ' PHE . 53.1 t -69.48 -46.48 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -63.76 -45.21 90.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.903 0.382 . . . . 0.0 110.683 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.781 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.1 t80 -67.82 -47.53 68.81 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.546 ' HB3' HG21 ' C' ' 39' ' ' VAL . 30.3 m-85 -77.4 -32.59 54.91 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -53.94 -29.15 41.16 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.872 0.368 . . . . 0.0 111.119 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -61.34 -17.08 52.15 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.932 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.496 ' OD1' HG23 ' C' ' 39' ' ' VAL . 11.2 p30 -104.2 -14.77 15.72 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.06 17.41 3.05 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.459 -0.877 . . . . 0.0 113.585 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' C' ' 34' ' ' PHE . 21.8 t -89.01 143.55 10.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 117.121 0.461 . . . . 0.0 111.015 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.46 -179.02 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 0.0 111.201 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.53 -143.55 18.07 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -150.5 158.11 43.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 111.361 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -73.23 122.04 21.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.353 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 47.4 p -113.59 140.17 48.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.76 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.75 146.25 49.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.693 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.27 157.48 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.68 132.21 47.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.05 141.7 39.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.497 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -138.66 156.59 47.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.703 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -115.13 147.63 40.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.016 0.436 . . . . 0.0 111.189 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.47 128.71 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.985 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -81.34 118.19 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.512 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -95.69 126.08 40.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.313 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.32 155.35 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.225 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.856 HG22 ' HG2' ' C' ' 56' ' ' GLU . 56.4 m -142.96 -75.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.358 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 56' ' ' GLU . . . . . 0.856 ' HG2' HG22 ' C' ' 55' ' ' THR . 7.3 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.856 0.36 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -89.82 122.61 33.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.674 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.469 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 38.3 m-85 -108.24 133.41 52.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.242 0.544 . . . . 0.0 112.232 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -106.55 131.38 53.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.865 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.508 HG12 HD12 ' D' ' 7' ' ' LEU . 21.2 t -142.53 127.16 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.52 118.19 45.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.518 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.508 HD12 HG12 ' D' ' 5' ' ' VAL . 1.1 mp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.048 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.254 0.55 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.72 -43.05 65.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -30.96 70.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.509 ' O ' HG23 ' D' ' 29' ' ' VAL . 74.8 m -63.07 -38.89 92.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.686 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.579 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.1 t80 -66.33 -46.11 77.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.8 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.96 -54.04 49.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.165 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -67.89 -48.99 64.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.575 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 61.4 t -64.04 -44.75 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.579 HG23 ' O ' ' D' ' 26' ' ' PHE . 54.2 t -69.46 -46.69 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -63.43 -45.34 91.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.768 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.78 -42.65 94.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.723 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.573 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.1 t80 -67.78 -47.56 68.83 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.547 ' HB3' HG21 ' D' ' 39' ' ' VAL . 30.2 m-85 -77.45 -32.86 54.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -53.7 -29.23 38.05 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.938 0.399 . . . . 0.0 111.142 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.31 -16.96 51.19 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.927 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.51 ' OD1' HG23 ' D' ' 39' ' ' VAL . 11.2 p30 -104.2 -14.91 15.67 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.01 17.6 3.03 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.491 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' D' ' 34' ' ' PHE . 21.8 t -89.27 143.69 10.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 117.207 0.503 . . . . 0.0 110.968 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.6 -178.71 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.189 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.27 -143.49 18.0 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.539 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -150.79 157.99 43.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.403 . . . . 0.0 111.201 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -72.92 121.68 20.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -113.04 140.11 48.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.756 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.92 146.27 49.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.574 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.28 157.44 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.71 132.47 48.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.43 141.82 40.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.525 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 27.5 m -138.5 156.64 47.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.572 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -115.01 147.87 39.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 0.0 111.174 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 16.6 m -141.53 128.77 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -81.61 118.4 22.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.402 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -95.91 126.13 40.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.191 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.26 155.44 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.218 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.845 HG22 ' HG2' ' D' ' 56' ' ' GLU . 57.6 m -143.18 -76.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.279 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 56' ' ' GLU . . . . . 0.845 ' HG2' HG22 ' D' ' 55' ' ' THR . 7.2 pt-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.912 0.386 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -89.99 124.25 34.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.713 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.456 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 38.8 m-85 -109.2 128.71 55.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.377 0.608 . . . . 0.0 111.776 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -106.53 128.07 53.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 t -142.35 124.35 13.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 mt -96.61 117.28 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.4 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.189 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.0 t70 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 121.244 0.545 . . . . 0.0 111.388 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.54 -44.55 56.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.428 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.81 -31.81 72.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.214 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.6 m -63.62 -40.76 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.738 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.778 ' O ' HG23 ' A' ' 30' ' ' VAL . 31.8 t80 -64.87 -46.93 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.806 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 45.9 mt-10 -57.56 -48.64 78.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.604 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -67.87 -45.44 74.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 25' ' ' THR . 63.5 t -63.14 -42.32 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 26' ' ' PHE . 39.9 t -70.28 -44.86 77.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -63.96 -46.19 85.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 110.766 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -65.2 -42.49 93.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.487 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.529 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.74 -48.1 67.4 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.451 ' HB3' HG21 ' A' ' 39' ' ' VAL . 34.6 m-85 -77.2 -30.6 54.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.87 -30.23 57.33 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.955 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -62.02 -18.39 60.4 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.635 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -101.82 -19.16 15.43 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.702 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 16.34 3.04 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.191 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 34' ' ' PHE . 38.7 t -88.57 143.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.911 0.356 . . . . 0.0 110.559 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -153.09 -175.99 5.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 111.213 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.97 -145.09 18.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.435 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -151.07 158.37 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 83.9 m95 -72.78 118.78 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.234 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.425 HG21 ' OG1' ' C' ' 53' ' ' THR . 57.5 p -112.75 139.54 48.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.537 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -70.81 143.61 51.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.2 157.96 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.21 132.52 48.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.721 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.82 140.56 36.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.927 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -136.22 156.43 48.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.679 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -126.17 122.83 36.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.937 0.399 . . . . 0.0 111.391 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.8 m -108.43 132.95 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.305 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -80.25 118.17 21.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.69 0.281 . . . . 0.0 111.344 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.43 ' OG1' HG21 ' C' ' 44' ' ' THR . 92.1 m -92.12 119.44 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.273 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.91 155.81 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 111.049 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.578 HG22 ' HG2' ' A' ' 56' ' ' GLU . 88.0 m -147.32 -84.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.578 ' HG2' HG22 ' A' ' 55' ' ' THR . 3.7 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.118 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.023 0.439 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -90.2 124.24 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.459 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 38.9 m-85 -108.96 128.69 55.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.353 0.597 . . . . 0.0 111.905 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -106.56 128.02 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -142.41 124.28 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 21.9 mt -96.66 117.35 40.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.569 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.244 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' B' ' 25' ' ' THR . 13.0 t70 . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 121.355 0.598 . . . . 0.0 112.055 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.456 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.64 -44.89 57.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.56 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.87 72.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.87 0.367 . . . . 0.0 111.244 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.738 ' O ' HG23 ' B' ' 29' ' ' VAL . 18.4 m -63.62 -40.82 97.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.637 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.775 ' O ' HG23 ' B' ' 30' ' ' VAL . 31.8 t80 -64.77 -46.9 80.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.52 -48.77 78.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.658 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -67.72 -45.55 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 25' ' ' THR . 63.0 t -63.05 -42.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.775 HG23 ' O ' ' B' ' 26' ' ' PHE . 40.3 t -70.22 -44.88 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 11.9 tmtt? -63.93 -46.1 86.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.003 0.43 . . . . 0.0 110.798 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.2 -42.61 93.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.474 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.521 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.7 t80 -67.63 -48.23 67.35 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.467 ' HB3' HG21 ' B' ' 39' ' ' VAL . 34.6 m-85 -77.1 -30.75 55.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -54.84 -30.28 57.21 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.975 178.597 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -61.93 -18.41 60.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.739 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -101.82 -19.35 15.36 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.04 16.25 2.97 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.23 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' B' ' 34' ' ' PHE . 38.3 t -88.56 143.03 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.873 0.336 . . . . 0.0 110.524 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -153.13 -176.16 5.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.93 0.395 . . . . 0.0 111.203 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.12 -145.16 18.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.38 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -151.04 158.54 44.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -72.93 118.7 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.082 0.467 . . . . 0.0 111.219 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.419 HG21 ' OG1' ' D' ' 53' ' ' THR . 61.6 p -112.75 139.67 48.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.416 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.88 143.58 50.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.87 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.22 157.91 36.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.752 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -66.16 132.57 48.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.752 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.91 140.75 36.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.962 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -136.83 156.57 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.487 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -126.0 123.44 38.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 0.0 111.338 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -108.81 132.97 53.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.257 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -80.43 118.24 21.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.314 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.405 ' OG1' HG21 ' D' ' 44' ' ' THR . 88.7 m -92.17 119.4 31.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.366 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.78 155.77 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.581 HG22 ' HG2' ' B' ' 56' ' ' GLU . 89.6 m -147.32 -84.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.581 ' HG2' HG22 ' B' ' 55' ' ' THR . 3.7 pt-20 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -90.04 124.3 34.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.672 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.461 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 39.0 m-85 -109.21 128.81 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.398 0.618 . . . . 0.0 111.821 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -106.57 128.03 53.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.971 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 t -142.36 124.46 13.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 21.8 mt -96.71 117.24 40.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.505 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.083 179.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.1 t70 . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 121.413 0.625 . . . . 0.0 112.039 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.457 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -50.87 -44.95 59.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.578 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 -31.96 73.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 111.224 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.76 ' O ' HG23 ' C' ' 29' ' ' VAL . 18.1 m -63.77 -40.63 97.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.711 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.776 ' O ' HG23 ' C' ' 30' ' ' VAL . 31.8 t80 -64.78 -46.84 80.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.402 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 45.6 mt-10 -57.55 -48.62 78.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.684 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -67.74 -45.53 74.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.76 HG23 ' O ' ' C' ' 25' ' ' THR . 63.0 t -63.12 -42.41 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.776 HG23 ' O ' ' C' ' 26' ' ' PHE . 40.3 t -70.24 -44.99 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 12.0 tmtt? -63.79 -46.13 86.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.999 0.428 . . . . 0.0 110.781 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -65.24 -42.58 93.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.541 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.557 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.7 t80 -67.57 -48.35 67.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.447 ' HB3' HG21 ' C' ' 39' ' ' VAL . 34.5 m-85 -76.94 -30.67 56.17 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -54.87 -30.25 57.48 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.962 178.601 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -61.96 -18.43 60.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.728 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -101.7 -19.3 15.45 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.748 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.86 16.42 2.99 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.286 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' C' ' 34' ' ' PHE . 39.2 t -88.67 143.06 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.912 0.356 . . . . 0.0 110.51 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -153.09 -176.31 5.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 111.278 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.21 -145.08 18.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -151.14 158.57 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 111.005 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' TRP . . . . . 0.402 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 83.7 m95 -72.97 118.7 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.286 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 44' ' ' THR . . . . . 0.43 HG21 ' OG1' ' A' ' 53' ' ' THR . 60.5 p -112.79 139.65 48.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.525 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.83 143.57 51.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.872 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.23 157.9 36.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -66.29 132.67 48.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.799 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 140.64 36.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.009 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 20.3 m -136.41 156.51 48.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.623 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -126.28 122.74 36.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.051 0.453 . . . . 0.0 111.288 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 23.1 m -108.23 132.9 53.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.174 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -80.3 117.76 21.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.803 0.335 . . . . 0.0 111.331 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 53' ' ' THR . . . . . 0.425 ' OG1' HG21 ' A' ' 44' ' ' THR . 91.1 m -91.64 119.38 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.387 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.87 155.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.041 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.601 HG22 ' HG2' ' C' ' 56' ' ' GLU . 89.5 m -147.37 -84.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 56' ' ' GLU . . . . . 0.601 ' HG2' HG22 ' C' ' 55' ' ' THR . 3.8 pt-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.026 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.797 0.332 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -90.01 124.21 34.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.736 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.457 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 39.0 m-85 -109.05 128.78 55.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.285 0.565 . . . . 0.0 111.864 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -106.66 127.99 53.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 t -142.35 124.07 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 mt -96.4 117.14 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.479 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' D' ' 25' ' ' THR . 12.9 t70 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 121.277 0.561 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -50.51 -44.68 56.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.476 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -32.02 73.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.205 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.75 ' O ' HG23 ' D' ' 29' ' ' VAL . 18.3 m -63.64 -40.6 97.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.789 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.78 ' O ' HG23 ' D' ' 30' ' ' VAL . 32.0 t80 -64.89 -46.89 79.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.833 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 45.7 mt-10 -57.52 -48.64 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.695 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -67.85 -45.48 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.75 HG23 ' O ' ' D' ' 25' ' ' THR . 62.3 t -63.0 -42.4 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.78 HG23 ' O ' ' D' ' 26' ' ' PHE . 40.0 t -70.35 -44.83 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.387 . . . . 0.0 112.029 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -63.97 -46.19 85.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.942 0.401 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -65.1 -42.54 93.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.549 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.7 t80 -67.86 -48.16 66.91 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' D' ' 39' ' ' VAL . 34.5 m-85 -77.06 -30.55 55.61 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -30.24 59.12 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.951 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -61.93 -18.49 60.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.691 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -101.73 -19.34 15.42 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.93 16.29 3.0 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.265 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' D' ' 34' ' ' PHE . 38.3 t -88.48 143.11 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.922 0.361 . . . . 0.0 110.593 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -153.28 -176.18 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.986 0.422 . . . . 0.0 111.173 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.1 -145.0 18.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.384 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -151.1 158.54 44.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 111.001 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 43' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 83.8 m95 -72.85 118.66 16.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.057 0.456 . . . . 0.0 111.255 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 44' ' ' THR . . . . . 0.405 HG21 ' OG1' ' B' ' 53' ' ' THR . 62.3 p -112.71 139.64 48.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.432 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.78 143.62 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.85 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 157.86 36.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.22 132.72 49.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.587 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.81 140.47 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.112 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 19.5 m -135.77 156.29 49.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.651 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -125.97 122.68 36.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.962 0.411 . . . . 0.0 111.19 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -108.46 132.84 53.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.247 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -80.27 117.92 21.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.771 0.32 . . . . 0.0 111.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 53' ' ' THR . . . . . 0.419 ' OG1' HG21 ' B' ' 44' ' ' THR . 90.8 m -91.73 119.4 31.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.396 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.402 HG12 ' N ' ' D' ' 55' ' ' THR . 5.6 t -70.88 155.99 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.729 0.3 . . . . 0.0 110.995 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.595 HG22 ' HG2' ' D' ' 56' ' ' GLU . 88.4 m -147.52 -84.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 56' ' ' GLU . . . . . 0.595 ' HG2' HG22 ' D' ' 55' ' ' THR . 3.7 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.74 0.305 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -90.69 126.69 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.472 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.548 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 37.7 m-85 -109.3 126.25 53.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.377 0.608 . . . . 0.0 112.254 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -106.48 122.18 45.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.482 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.16 128.86 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 111.772 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -92.69 119.73 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.014 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.753 HD11 ' CE1' ' B' ' 34' ' ' PHE . 3.9 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.448 ' O ' ' HB ' ' A' ' 25' ' ' THR . 20.0 t70 . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.275 0.56 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.533 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.97 -43.47 66.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.206 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.84 -32.63 74.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.773 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' HG23 ' A' ' 29' ' ' VAL . 39.3 m -63.52 -37.87 88.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.243 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 30' ' ' VAL . 30.4 t80 -64.11 -50.36 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.915 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -56.87 -49.25 76.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.805 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.38 -50.81 62.23 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.413 0.524 . . . . 0.0 112.413 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.574 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 66.1 t -64.27 -43.56 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.7 t -69.84 -45.6 76.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.153 -178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -64.88 -45.36 86.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.047 0.451 . . . . 0.0 110.635 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.92 -42.74 94.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.589 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 5.3 t80 -67.36 -47.27 70.91 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' B' ' 7' ' ' LEU . 30.3 m-85 -77.48 -29.97 52.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.0 -29.4 57.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.123 0.487 . . . . 0.0 110.919 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -60.72 -17.9 51.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.846 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.593 ' OD1' HG23 ' A' ' 39' ' ' VAL . 13.2 p30 -103.56 -17.8 15.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.49 15.8 2.39 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.201 -1.0 . . . . 0.0 113.612 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.593 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.5 t -89.44 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.029 0.414 . . . . 0.0 111.014 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -156.7 -179.47 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.92 -144.54 17.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.248 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -148.84 156.23 42.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -73.04 118.54 16.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.5 p -110.98 140.52 45.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.423 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.74 143.01 51.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.722 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.406 ' HB2' ' HB ' ' C' ' 49' ' ' THR . 1.0 OUTLIER -71.85 158.67 35.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.75 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.15 130.35 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.709 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.79 142.77 33.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.874 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.1 m -137.57 156.36 48.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.367 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -125.1 120.54 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.007 0.432 . . . . 0.0 111.382 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -106.62 132.94 52.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.298 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.9 118.49 22.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.367 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -92.93 123.1 35.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.448 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.32 155.79 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.923 0.392 . . . . 0.0 111.158 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -148.97 -69.03 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.921 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.738 0.304 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.68 126.61 36.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.562 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.533 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.6 m-85 -109.29 126.23 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.364 0.602 . . . . 0.0 112.246 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.49 122.15 45.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.42 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.18 128.88 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.032 0.444 . . . . 0.0 111.742 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.1 mt -92.69 119.87 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.995 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.747 HD11 ' CE1' ' A' ' 34' ' ' PHE . 3.9 tp . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' B' ' 25' ' ' THR . 19.7 t70 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 121.338 0.59 . . . . 0.0 111.903 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -53.29 -43.63 67.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.211 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.59 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.766 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.515 ' O ' HG23 ' B' ' 29' ' ' VAL . 39.1 m -63.54 -37.8 88.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.215 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.637 ' O ' HG23 ' B' ' 30' ' ' VAL . 30.6 t80 -64.27 -50.37 68.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.876 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -56.8 -49.23 75.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.83 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.4 -50.77 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.573 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 66.2 t -64.32 -43.6 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.5 t -69.79 -45.62 76.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.173 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -64.94 -45.29 86.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 0.0 110.615 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.99 -42.67 94.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.609 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.574 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.4 t80 -67.44 -47.24 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.753 ' CE1' HD11 ' A' ' 7' ' ' LEU . 30.6 m-85 -77.56 -29.91 52.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -54.98 -29.36 56.82 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.071 0.462 . . . . 0.0 110.899 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -60.78 -17.9 51.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.837 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.59 ' OD1' HG23 ' B' ' 39' ' ' VAL . 13.1 p30 -103.57 -17.81 15.02 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.48 15.71 2.41 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.531 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.59 HG23 ' OD1' ' B' ' 37' ' ' ASN . 22.4 t -89.33 143.09 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 117.168 0.484 . . . . 0.0 111.015 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -156.76 -179.73 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.251 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.26 -144.43 17.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.28 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -148.95 156.2 41.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -72.99 118.53 16.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -110.92 140.4 45.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.444 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.62 142.87 51.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.76 158.72 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.08 130.09 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.31 142.43 31.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.714 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' D' ' 46' ' ' ASP . 26.7 m -137.41 156.29 48.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.356 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -125.14 120.57 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 111.397 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.64 133.07 51.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.347 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -81.1 118.5 22.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 90.0 m -92.88 123.23 35.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.41 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.41 155.89 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.97 0.414 . . . . 0.0 111.155 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.6 m -149.06 -69.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.004 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.71 126.65 36.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.543 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 37.7 m-85 -109.25 126.25 53.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.364 0.602 . . . . 0.0 112.225 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.54 122.08 45.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.404 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.11 128.87 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.713 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.2 mt -92.77 119.94 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.997 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.753 HD11 ' CE1' ' D' ' 34' ' ' PHE . 3.9 tp . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' C' ' 25' ' ' THR . 20.0 t70 . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.236 0.541 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.535 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -52.95 -43.57 66.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.205 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.57 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.838 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.508 ' O ' HG23 ' C' ' 29' ' ' VAL . 40.0 m -63.56 -37.81 88.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.216 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.632 ' O ' HG23 ' C' ' 30' ' ' VAL . 30.4 t80 -64.23 -50.32 68.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.878 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -56.86 -49.39 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.769 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.24 -50.87 62.3 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.551 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 66.9 t -64.25 -43.64 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.632 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.8 t -69.75 -45.71 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.19 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -64.75 -45.43 86.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.065 0.46 . . . . 0.0 110.692 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.95 -42.62 94.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.677 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.558 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.3 t80 -67.37 -47.26 70.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.755 ' CE1' HD11 ' D' ' 7' ' ' LEU . 30.6 m-85 -77.47 -30.05 52.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -54.94 -29.43 56.49 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.073 0.463 . . . . 0.0 110.865 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -60.79 -17.75 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.87 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.604 ' OD1' HG23 ' C' ' 39' ' ' VAL . 13.0 p30 -103.59 -17.86 14.99 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.46 15.84 2.39 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.196 -1.002 . . . . 0.0 113.545 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.604 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.5 t -89.44 143.16 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 117.073 0.437 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -156.77 -179.58 8.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.993 0.425 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.12 -144.48 17.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.254 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.84 156.25 42.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -73.0 118.45 15.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 81.9 p -110.88 140.56 45.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.343 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.7 142.99 51.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.724 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.95 158.77 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.936 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.22 130.41 43.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.74 142.63 33.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.779 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 46' ' ' ASP . 26.4 m -137.4 156.31 48.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.387 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -125.11 120.5 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.396 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 24.3 m -106.52 133.02 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.315 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -80.88 118.49 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.356 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -92.96 123.17 36.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.482 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.32 155.84 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.142 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 54.5 m -149.06 -69.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.92 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.792 0.33 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.61 126.62 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.515 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.535 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.5 m-85 -109.32 126.28 53.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.37 0.605 . . . . 0.0 112.243 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.52 122.17 45.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.446 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.19 129.03 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.078 0.466 . . . . 0.0 111.71 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.3 mt -92.83 119.91 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.018 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.755 HD11 ' CE1' ' C' ' 34' ' ' PHE . 3.9 tp . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' D' ' 25' ' ' THR . 19.8 t70 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 121.327 0.585 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.543 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -53.16 -43.79 67.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.179 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.54 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.513 ' O ' HG23 ' D' ' 29' ' ' VAL . 41.2 m -63.51 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.224 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.641 ' O ' HG23 ' D' ' 30' ' ' VAL . 30.2 t80 -64.17 -50.31 68.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.901 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -56.88 -49.32 75.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.8 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.35 -50.83 62.23 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.558 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 66.4 t -64.26 -43.61 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.641 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.6 t -69.83 -45.58 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.123 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -64.88 -45.36 86.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.988 0.423 . . . . 0.0 110.637 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -65.02 -42.63 94.25 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.578 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.551 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.3 t80 -67.48 -47.3 70.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.753 ' CE1' HD11 ' C' ' 7' ' ' LEU . 30.5 m-85 -77.42 -30.04 53.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -54.96 -29.45 56.82 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.015 0.436 . . . . 0.0 110.858 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -60.7 -17.77 50.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.942 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.597 ' OD1' HG23 ' D' ' 39' ' ' VAL . 13.1 p30 -103.62 -17.79 15.0 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.49 15.66 2.42 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.226 -0.987 . . . . 0.0 113.605 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.597 HG23 ' OD1' ' D' ' 37' ' ' ASN . 22.1 t -89.41 143.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 117.116 0.458 . . . . 0.0 110.986 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -156.65 -178.92 7.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.171 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.46 -144.63 18.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.312 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.84 156.26 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -72.95 118.42 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.236 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.6 p -110.9 140.47 45.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.526 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -70.6 142.96 51.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.762 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 46' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' B' ' 49' ' ' THR . 1.0 OUTLIER -71.86 158.75 35.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -179.722 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.11 130.04 41.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 142.48 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.699 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 26.9 m -137.58 156.34 48.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.314 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -125.0 120.61 32.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.401 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 24.3 m -106.71 132.94 52.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.377 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -80.93 118.56 22.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.403 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 91.2 m -92.98 123.11 35.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.514 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.32 155.8 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.24 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 53.5 m -148.95 -68.96 0.22 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.91 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.745 0.307 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -86.51 123.28 31.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.411 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.3 m-85 -110.73 130.45 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.402 0.62 . . . . 0.0 112.201 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -106.4 126.02 51.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.627 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.527 HG12 HD12 ' A' ' 7' ' ' LEU . 23.5 t -142.14 128.0 18.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.963 0.411 . . . . 0.0 111.303 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.8 mt -93.34 125.42 45.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.767 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.241 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 25' ' ' THR . 28.8 t70 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 121.418 0.628 . . . . 0.0 111.789 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.26 -44.68 33.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.613 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.64 68.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.262 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.7 m -62.2 -40.71 96.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.977 0.418 . . . . 0.0 110.448 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.6 t80 -66.98 -48.31 68.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.903 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 48.7 mt-10 -56.77 -52.4 65.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.013 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -67.29 -49.92 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.629 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 60.7 t -62.77 -42.5 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 26' ' ' PHE . 63.8 t -71.37 -44.94 71.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.867 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -62.91 -46.22 88.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -63.26 -46.42 86.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.373 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.628 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.5 t80 -67.4 -46.38 73.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.763 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 39.1 m-85 -75.12 -33.45 61.59 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.26 -31.02 63.19 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.989 0.424 . . . . 0.0 111.0 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -62.01 -17.65 57.89 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.119 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.654 ' OD1' HG23 ' A' ' 39' ' ' VAL . 18.9 p30 -105.74 -21.91 13.07 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.03 13.37 1.77 Allowed Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.319 -0.943 . . . . 0.0 114.183 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.654 HG23 ' OD1' ' A' ' 37' ' ' ASN . 29.3 t -89.31 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.557 0.679 . . . . 0.0 110.826 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.18 -179.02 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 111.111 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.37 -145.86 18.09 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.545 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -147.76 155.13 41.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.388 . . . . 0.0 110.986 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 97.6 m95 -73.32 117.73 15.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.197 0.522 . . . . 0.0 111.381 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -111.07 141.62 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.325 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -69.89 144.87 52.35 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.817 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.35 159.83 33.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -66.22 126.32 28.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.5 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 144.01 28.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.948 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -139.47 156.64 46.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.469 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -124.56 119.63 29.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.991 0.424 . . . . 0.0 111.348 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.9 m -105.28 133.66 49.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.459 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -80.14 118.72 22.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -91.9 123.21 35.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.373 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.48 154.93 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.2 m -147.66 -68.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.065 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.849 0.357 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.41 123.12 31.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.353 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.433 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -110.72 130.59 55.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.369 0.604 . . . . 0.0 112.287 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -106.39 126.07 51.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.612 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.528 HG12 HD12 ' B' ' 7' ' ' LEU . 23.0 t -142.13 127.89 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.369 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 mt -93.13 125.51 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.59 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.763 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.326 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' B' ' 25' ' ' THR . 28.3 t70 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.398 0.618 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.22 -44.89 33.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.561 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.2 -28.52 68.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.283 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.614 ' O ' HG23 ' B' ' 29' ' ' VAL . 98.8 m -62.34 -40.7 97.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.019 0.437 . . . . 0.0 110.55 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.572 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.4 t80 -66.93 -48.21 69.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.889 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 48.5 mt-10 -56.79 -52.31 65.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.096 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -67.41 -49.86 61.98 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.628 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 61.1 t -62.81 -42.57 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 26' ' ' PHE . 64.7 t -71.36 -44.9 71.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.873 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -62.9 -46.1 89.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.0 110.629 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.35 -46.38 86.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.388 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.629 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.5 t80 -67.4 -46.41 73.29 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.767 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 39.1 m-85 -75.03 -33.29 61.76 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.36 -30.98 63.35 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.978 0.418 . . . . 0.0 110.973 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.01 -17.66 57.95 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.096 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.654 ' OD1' HG23 ' B' ' 39' ' ' VAL . 18.9 p30 -105.89 -21.66 13.1 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.73 13.53 1.81 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.334 -0.936 . . . . 0.0 114.164 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.654 HG23 ' OD1' ' B' ' 37' ' ' ASN . 30.8 t -89.3 143.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 117.527 0.664 . . . . 0.0 110.763 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -157.44 -179.24 7.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.116 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.45 -145.77 18.03 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -147.92 155.01 41.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.85 0.357 . . . . 0.0 110.98 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 97.5 m95 -73.32 117.86 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.233 0.54 . . . . 0.0 111.41 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.7 p -111.24 141.65 44.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.417 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -69.86 144.79 52.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.859 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 159.86 33.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -66.07 126.02 27.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.48 144.13 26.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.123 0.487 . . . . 0.0 111.888 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.2 m -139.57 156.71 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.487 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -124.64 119.58 29.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.066 0.46 . . . . 0.0 111.382 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 50.0 m -105.19 133.53 49.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.403 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -80.03 118.19 21.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.225 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 93.0 m -91.48 123.12 34.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.34 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.44 154.89 7.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 110.983 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.6 m -147.48 -67.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.084 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tpt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.901 0.382 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -86.38 123.17 31.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.424 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.4 m-85 -110.71 130.37 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.276 0.56 . . . . 0.0 112.244 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -106.31 126.13 51.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.601 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.509 HG12 HD12 ' C' ' 7' ' ' LEU . 22.9 t -142.25 127.75 17.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.399 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -93.18 125.56 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.545 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.754 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.193 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.2 t70 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.423 0.63 . . . . 0.0 111.819 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.15 -44.85 32.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.633 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.39 -28.48 67.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.304 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.62 ' O ' HG23 ' C' ' 29' ' ' VAL . 99.4 m -62.23 -40.83 97.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.953 0.406 . . . . 0.0 110.455 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.578 ' O ' HG23 ' C' ' 30' ' ' VAL . 19.3 t80 -66.88 -47.98 70.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.944 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.416 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 49.5 mt-10 -56.98 -52.31 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.041 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -67.51 -49.66 62.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.645 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 60.8 t -62.78 -42.7 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.578 HG23 ' O ' ' C' ' 26' ' ' PHE . 64.9 t -71.21 -44.84 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.951 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -63.07 -46.04 89.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.619 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -63.23 -46.32 87.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.431 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.3 t80 -67.56 -46.35 72.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.773 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 39.2 m-85 -75.09 -33.25 61.61 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.41 -31.03 63.51 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.953 0.406 . . . . 0.0 110.911 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.91 -17.67 57.51 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.146 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.669 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.1 p30 -105.91 -21.73 13.08 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.97 13.29 1.79 Allowed Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.286 -0.959 . . . . 0.0 114.196 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.669 HG23 ' OD1' ' C' ' 37' ' ' ASN . 31.7 t -89.3 143.33 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 117.6 0.7 . . . . 0.0 110.779 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -157.27 -179.11 7.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.958 0.409 . . . . 0.0 111.091 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.5 -145.84 18.02 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -147.68 155.04 41.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.901 0.381 . . . . 0.0 111.008 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' TRP . . . . . 0.416 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 97.5 m95 -73.44 117.58 15.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.199 0.523 . . . . 0.0 111.29 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -111.13 141.87 44.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.326 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -69.88 145.02 52.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.923 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.55 159.69 33.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.17 126.02 27.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.4 143.93 27.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.1 0.476 . . . . 0.0 111.918 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -139.47 156.67 46.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.49 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -124.55 119.66 29.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 111.357 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 48.3 m -105.36 133.55 49.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.397 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -80.12 118.16 21.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 95.0 m -91.32 123.25 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.42 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.53 154.88 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 38.8 m -147.74 -67.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.059 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.23 123.06 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.375 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.425 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.0 m-85 -110.7 130.6 55.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.334 0.588 . . . . 0.0 112.185 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -106.42 126.23 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.617 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.52 HG12 HD12 ' D' ' 7' ' ' LEU . 22.0 t -142.18 128.0 18.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.963 0.411 . . . . 0.0 111.444 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -93.3 125.54 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.512 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.773 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.212 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' D' ' 25' ' ' THR . 28.6 t70 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 121.41 0.624 . . . . 0.0 111.7 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.22 -44.74 33.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.582 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.7 68.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.307 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.627 ' O ' HG23 ' D' ' 29' ' ' VAL . 99.0 m -62.23 -40.57 96.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.514 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.59 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.5 t80 -67.08 -48.3 68.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.832 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 49.2 mt-10 -56.75 -52.37 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.052 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -67.32 -49.68 63.13 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 61.3 t -62.91 -42.56 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.59 HG23 ' O ' ' D' ' 26' ' ' PHE . 65.3 t -71.23 -45.02 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.916 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.82 -46.22 88.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.584 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -63.3 -46.47 86.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.314 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.645 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.4 t80 -67.35 -46.46 73.33 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.754 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 39.2 m-85 -74.93 -33.33 61.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.36 -30.98 63.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.945 0.403 . . . . 0.0 111.024 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.1 -17.63 58.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.106 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.668 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.0 p30 -105.76 -21.88 13.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.95 13.34 1.79 Allowed Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.274 -0.965 . . . . 0.0 114.213 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.668 HG23 ' OD1' ' D' ' 37' ' ' ASN . 29.3 t -89.31 143.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 117.542 0.671 . . . . 0.0 110.732 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -157.21 -179.16 7.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 111.085 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.49 -145.88 18.03 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -147.79 155.05 41.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.847 0.356 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 43' ' ' TRP . . . . . 0.414 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 97.5 m95 -73.24 117.64 15.24 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.211 0.529 . . . . 0.0 111.411 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 65.0 p -111.02 141.79 44.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.416 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.1 144.87 51.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.857 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.34 159.7 33.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.06 126.35 28.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.55 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.79 144.1 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.132 0.492 . . . . 0.0 111.954 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -139.44 156.61 46.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.428 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -124.56 119.66 29.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.074 0.464 . . . . 0.0 111.375 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 49.7 m -105.26 133.59 49.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.392 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -80.09 118.04 21.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.0 m -91.41 123.29 34.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.408 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.44 154.77 7.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.956 0.408 . . . . 0.0 111.031 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 39.9 m -147.47 -67.87 0.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.843 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.032 179.805 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.41 121.62 31.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.127 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.598 ' CD2' HD13 ' B' ' 7' ' ' LEU . 41.1 m-85 -106.21 128.9 54.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.445 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.36 133.01 51.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -142.34 127.15 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -100.89 117.29 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 111.443 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.004 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 25' ' ' THR . 35.0 t70 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 121.371 0.605 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.51 -41.49 53.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.544 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.13 71.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.356 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.3 m -63.85 -41.06 97.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.619 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.805 ' O ' HG23 ' A' ' 30' ' ' VAL . 40.9 t80 -66.81 -46.91 73.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.04 0.448 . . . . 0.0 111.009 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 3.2 tt0 -54.89 -50.8 67.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.258 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -67.08 -44.62 79.59 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 25' ' ' THR . 64.7 t -62.44 -41.34 91.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 26' ' ' PHE . 37.2 t -67.94 -47.11 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -62.62 -46.0 90.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.959 0.409 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.78 -40.59 92.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.761 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.594 ' HZ ' HG22 ' B' ' 25' ' ' THR . 4.5 t80 -68.35 -49.59 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.403 ' CE2' ' CE2' ' A' ' 33' ' ' PHE . 30.2 m-85 -76.78 -30.99 56.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -54.67 -31.06 57.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 111.186 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -17.89 58.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.803 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -103.49 -19.93 14.22 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.0 15.85 3.06 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.501 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.6 t -88.99 142.73 12.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 117.234 0.517 . . . . 0.0 110.279 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -155.76 -177.48 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.43 . . . . 0.0 111.23 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.01 -145.21 18.15 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.259 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -148.61 155.96 41.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.934 0.397 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.443 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 83.6 m95 -73.13 121.02 19.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.394 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.7 p -113.02 138.43 49.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.363 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.84 142.61 53.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.617 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.66 158.73 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.701 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -66.32 131.73 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.724 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.45 141.98 34.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.044 0.45 . . . . 0.0 111.719 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.8 m -136.63 156.73 48.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.765 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -120.66 126.91 51.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.003 0.43 . . . . 0.0 111.231 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.2 m -115.29 129.93 56.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.42 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -81.04 121.19 25.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.557 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -96.52 122.22 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.061 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -71.04 155.59 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.216 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.1 m -148.53 -69.6 0.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.919 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.4 121.59 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.041 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.615 ' CD2' HD13 ' A' ' 7' ' ' LEU . 40.8 m-85 -106.2 128.87 54.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.509 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.31 132.86 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.32 127.12 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.685 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.5 mt -100.93 117.34 46.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 111.512 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.644 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.067 179.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.458 ' O ' ' HB ' ' B' ' 25' ' ' THR . 33.8 t70 . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 121.378 0.608 . . . . 0.0 112.269 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.401 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.68 -41.79 56.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.472 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.19 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.314 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.722 ' O ' HG23 ' B' ' 29' ' ' VAL . 14.9 m -63.88 -40.82 97.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.665 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.813 ' O ' HG23 ' B' ' 30' ' ' VAL . 41.0 t80 -66.99 -46.95 72.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.444 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 3.1 tt0 -54.87 -50.77 67.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.318 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -66.99 -44.76 79.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 25' ' ' THR . 64.6 t -62.36 -41.3 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.813 HG23 ' O ' ' B' ' 26' ' ' PHE . 36.2 t -67.96 -47.17 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -62.57 -45.92 90.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.975 0.417 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.87 -40.72 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.755 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.593 ' HZ ' HG22 ' A' ' 25' ' ' THR . 4.5 t80 -68.23 -49.48 60.38 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.401 ' CE2' ' CE2' ' B' ' 33' ' ' PHE . 30.1 m-85 -76.76 -31.1 56.85 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -54.67 -30.99 56.99 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.856 0.36 . . . . 0.0 111.219 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -17.74 58.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.836 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -103.62 -20.06 14.13 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.12 15.96 3.0 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.437 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.5 t -89.14 142.8 12.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 117.223 0.512 . . . . 0.0 110.176 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -155.81 -177.37 6.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.384 . . . . 0.0 111.121 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.92 -145.35 18.2 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.265 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -148.61 155.87 41.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.444 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 83.5 m95 -72.9 120.99 19.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.432 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 81.2 p -113.01 138.54 49.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.37 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -69.82 142.7 53.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.692 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.63 158.56 35.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.686 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -66.21 131.92 47.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.39 141.56 35.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.059 0.456 . . . . 0.0 111.689 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -136.39 156.67 48.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.735 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -120.64 127.09 51.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.033 0.444 . . . . 0.0 111.259 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 53.3 m -115.41 129.98 56.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.455 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -81.11 121.24 25.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.553 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -96.59 121.94 38.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.086 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.407 HG12 ' N ' ' B' ' 55' ' ' THR . 5.4 t -70.8 155.43 7.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.927 0.394 . . . . 0.0 111.204 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.407 ' N ' HG12 ' B' ' 54' ' ' VAL . 57.2 m -148.22 -69.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.917 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.749 0.309 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -89.5 121.69 31.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.597 ' CD2' HD13 ' D' ' 7' ' ' LEU . 41.0 m-85 -106.17 128.94 54.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.443 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.46 133.04 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -142.23 127.19 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.712 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -100.98 117.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.75 0.31 . . . . 0.0 111.559 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.088 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' C' ' 25' ' ' THR . 34.1 t70 . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 121.49 0.662 . . . . 0.0 112.163 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.67 -41.82 55.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.506 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.14 -31.04 71.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.289 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.713 ' O ' HG23 ' C' ' 29' ' ' VAL . 14.8 m -63.75 -41.01 98.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.68 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.838 ' O ' HG23 ' C' ' 30' ' ' VAL . 40.5 t80 -66.76 -47.14 73.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.091 0.472 . . . . 0.0 110.988 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 3.2 tt0 -54.79 -50.85 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.211 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -66.84 -44.98 79.64 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.713 HG23 ' O ' ' C' ' 25' ' ' THR . 64.0 t -62.21 -41.5 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.838 HG23 ' O ' ' C' ' 26' ' ' PHE . 37.0 t -68.01 -46.97 80.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -62.51 -46.1 89.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.962 0.41 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -65.78 -40.71 92.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.785 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.57 ' HZ ' HG22 ' D' ' 25' ' ' THR . 4.5 t80 -68.21 -49.54 60.12 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -76.68 -31.15 57.09 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -54.6 -30.98 56.19 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 111.284 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.98 -17.91 58.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.789 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -103.47 -20.01 14.2 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.16 15.84 3.02 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.56 -0.829 . . . . 0.0 113.468 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.02 142.82 12.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 117.227 0.514 . . . . 0.0 110.198 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -155.82 -177.39 6.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 111.179 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.78 -145.24 18.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.19 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -148.76 155.96 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.981 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 83.4 m95 -73.04 121.04 19.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.442 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -112.98 138.45 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.374 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.89 142.57 52.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.688 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.56 158.75 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.754 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -66.32 131.95 47.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.3 141.55 35.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.058 0.456 . . . . 0.0 111.664 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -136.36 156.67 48.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.736 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -120.81 126.92 51.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.061 0.458 . . . . 0.0 111.16 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 53.6 m -115.28 130.07 56.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.295 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -81.12 121.12 25.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.55 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -96.43 122.05 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.117 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.406 HG12 ' N ' ' C' ' 55' ' ' THR . 5.5 t -70.94 155.54 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.967 0.413 . . . . 0.0 111.14 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.406 ' N ' HG12 ' C' ' 54' ' ' VAL . 56.5 m -148.33 -69.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.088 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.863 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.721 0.296 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -89.46 121.5 31.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.613 ' CD2' HD13 ' C' ' 7' ' ' LEU . 40.8 m-85 -106.11 128.82 54.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.473 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -106.33 132.99 51.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.38 127.06 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.688 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mt -100.74 117.3 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 111.559 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.647 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.064 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' D' ' 25' ' ' THR . 35.0 t70 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.365 0.602 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.45 -41.49 52.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.49 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.1 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.377 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.713 ' O ' HG23 ' D' ' 29' ' ' VAL . 15.2 m -63.74 -41.1 98.08 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.649 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.825 ' O ' HG23 ' D' ' 30' ' ' VAL . 40.6 t80 -66.76 -46.99 73.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.077 0.465 . . . . 0.0 110.999 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 3.2 tt0 -54.86 -50.88 67.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.187 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -66.95 -44.76 79.76 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.713 HG23 ' O ' ' D' ' 25' ' ' THR . 64.4 t -62.31 -41.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.825 HG23 ' O ' ' D' ' 26' ' ' PHE . 37.2 t -67.94 -47.08 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -62.64 -45.93 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.82 -40.61 92.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.838 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.577 ' HZ ' HG22 ' C' ' 25' ' ' THR . 4.5 t80 -68.39 -49.4 60.35 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.404 ' CE2' ' CE2' ' D' ' 33' ' ' PHE . 30.2 m-85 -76.8 -30.99 56.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -54.69 -31.06 57.36 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.935 0.398 . . . . 0.0 111.274 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.92 -17.89 58.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.842 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -103.58 -19.91 14.19 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.04 16.01 3.02 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.472 -0.871 . . . . 0.0 113.42 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.16 142.82 12.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 117.247 0.523 . . . . 0.0 110.174 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -155.83 -177.4 6.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 0.0 111.149 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.81 -145.18 18.2 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.133 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -148.81 155.95 41.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.378 . . . . 0.0 110.955 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 43' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 83.4 m95 -72.92 121.01 19.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.423 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.1 p -112.94 138.39 49.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.405 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -69.73 142.69 53.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.61 158.57 35.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -66.11 131.68 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.3 141.78 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.678 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 13.9 m -136.52 156.77 48.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.808 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -120.76 127.09 51.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.041 0.448 . . . . 0.0 111.182 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 53.0 m -115.37 130.04 56.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.51 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -81.21 121.17 25.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.466 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 94.2 m -96.53 122.04 39.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.1 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.41 HG12 ' N ' ' D' ' 55' ' ' THR . 5.4 t -70.86 155.63 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 111.172 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.41 ' N ' HG12 ' D' ' 54' ' ' VAL . 56.8 m -148.55 -69.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.079 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.877 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.777 0.322 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -88.83 122.21 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.401 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.534 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 40.7 m-85 -108.52 132.67 53.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 111.896 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -106.59 129.58 54.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.8 t -142.34 125.0 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.61 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.24 117.21 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.717 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.188 178.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.7 t0 . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.274 0.559 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -51.09 -43.14 61.0 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.21 -30.24 68.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.216 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.7 m -61.71 -37.88 85.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.002 0.43 . . . . 0.0 110.392 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.685 ' O ' HG23 ' A' ' 30' ' ' VAL . 16.0 t80 -68.32 -48.73 64.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.024 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.24 -53.64 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.293 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -67.8 -47.55 68.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.614 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 95.0 t -63.07 -41.81 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.7 t -69.74 -45.7 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -63.26 -45.15 92.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.03 0.443 . . . . 0.0 110.536 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -45.41 90.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.213 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.621 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 3.9 t80 -67.05 -47.08 72.43 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 38.1 m-85 -74.84 -32.88 62.04 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.45 -30.5 62.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.943 0.401 . . . . 0.0 111.085 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -61.36 -17.47 54.1 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.359 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.628 ' OD1' HG23 ' A' ' 39' ' ' VAL . 20.6 p30 -107.78 -20.47 13.2 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.8 14.52 1.67 Allowed Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.246 -0.978 . . . . 0.0 114.235 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.628 HG23 ' OD1' ' A' ' 37' ' ' ASN . 21.7 t -89.73 143.53 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 117.651 0.726 . . . . 0.0 110.741 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -153.56 -178.2 6.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 111.049 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.94 -145.56 18.72 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.727 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -150.34 157.87 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.924 0.392 . . . . 0.0 111.135 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -72.9 119.9 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.236 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -113.71 139.98 48.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.524 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.03 142.57 50.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.92 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.56 160.34 32.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -66.07 132.23 48.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.337 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.38 139.79 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.085 0.469 . . . . 0.0 112.019 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -132.22 156.53 46.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.523 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -124.4 122.55 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.027 0.441 . . . . 0.0 111.287 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -109.46 128.36 55.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.194 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.05 113.55 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.247 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -91.69 124.57 35.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.364 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 55' ' ' THR . 7.3 t -71.44 156.77 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.186 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.892 HG22 ' HG2' ' A' ' 56' ' ' GLU . 60.0 m -143.93 -77.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.444 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.892 ' HG2' HG22 ' A' ' 55' ' ' THR . 6.4 pt-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.836 0.35 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -88.82 122.08 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.545 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.524 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 40.5 m-85 -108.67 132.53 53.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.274 0.559 . . . . 0.0 111.853 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -106.43 129.82 54.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.074 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.37 125.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.656 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 19.5 mt -98.42 117.26 43.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.734 0.302 . . . . 0.0 111.795 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.234 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' B' ' 25' ' ' THR . 27.9 t0 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 121.492 0.663 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.534 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.27 -43.46 61.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.232 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.11 68.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.285 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' B' ' 29' ' ' VAL . 31.5 m -61.83 -37.8 85.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.439 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.679 ' O ' HG23 ' B' ' 30' ' ' VAL . 16.6 t80 -68.45 -48.63 64.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.962 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.45 -53.47 53.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.209 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -67.79 -47.58 68.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.621 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 90.7 t -63.01 -41.88 94.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.1 t -69.67 -45.78 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -63.12 -45.2 93.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -45.52 90.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.225 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.614 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.0 t80 -66.89 -47.12 72.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 37.8 m-85 -74.89 -32.81 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -56.45 -30.53 62.98 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.944 0.402 . . . . 0.0 111.122 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -61.34 -17.45 53.93 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.388 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.647 ' OD1' HG23 ' B' ' 39' ' ' VAL . 20.5 p30 -107.76 -20.07 13.33 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.17 14.81 1.75 Allowed Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.18 -1.01 . . . . 0.0 114.24 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.647 HG23 ' OD1' ' B' ' 37' ' ' ASN . 21.8 t -89.96 143.47 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 117.606 0.703 . . . . 0.0 110.672 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -153.39 -178.33 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.052 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.15 -145.64 18.69 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.781 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -150.32 157.81 43.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.84 0.353 . . . . 0.0 111.221 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -72.95 119.88 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.24 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.2 p -113.8 140.1 48.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.498 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.0 142.42 50.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.917 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.46 160.45 32.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.07 132.11 47.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.559 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.08 139.4 35.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.094 0.473 . . . . 0.0 111.822 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 10.0 m -132.1 156.59 46.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -124.64 122.2 36.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.065 0.459 . . . . 0.0 111.43 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 54.5 m -109.2 128.41 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.107 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -82.17 113.23 19.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.292 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -91.34 124.54 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.302 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.434 HG12 ' N ' ' B' ' 55' ' ' THR . 8.1 t -71.62 156.91 6.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.214 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.913 HG22 ' HG2' ' B' ' 56' ' ' GLU . 60.0 m -143.93 -77.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.354 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.913 ' HG2' HG22 ' B' ' 55' ' ' THR . 6.3 pt-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.957 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.759 0.314 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -88.76 122.19 31.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.593 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.519 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 40.6 m-85 -108.54 132.62 53.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.245 0.545 . . . . 0.0 111.904 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -106.61 129.69 54.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.34 124.95 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.622 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 18.6 mt -98.16 117.26 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.748 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.557 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.458 ' O ' ' HB ' ' C' ' 25' ' ' THR . 29.9 t0 . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.43 0.633 . . . . 0.0 111.575 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.518 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -51.16 -43.29 61.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.119 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.08 -30.06 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.244 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.604 ' O ' HG23 ' C' ' 29' ' ' VAL . 30.9 m -61.85 -37.83 85.96 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.043 0.449 . . . . 0.0 110.457 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.664 ' O ' HG23 ' C' ' 30' ' ' VAL . 16.2 t80 -68.37 -48.77 63.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.941 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -54.24 -53.59 51.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.294 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -67.83 -47.47 68.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.608 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 90.4 t -63.06 -41.82 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.664 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.4 t -69.61 -45.7 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -63.3 -45.13 92.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.035 0.445 . . . . 0.0 110.616 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.55 -45.16 91.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.264 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.611 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 3.9 t80 -67.18 -47.11 71.95 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 38.5 m-85 -74.91 -32.91 61.92 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.44 -30.51 62.93 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.005 0.431 . . . . 0.0 111.114 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.32 -17.38 53.45 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.387 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.634 ' OD1' HG23 ' C' ' 39' ' ' VAL . 20.6 p30 -107.9 -20.26 13.25 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.49 14.52 1.73 Allowed Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.244 -0.979 . . . . 0.0 114.363 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.634 HG23 ' OD1' ' C' ' 37' ' ' ASN . 21.7 t -89.72 143.52 11.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 117.5 0.65 . . . . 0.0 110.694 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -153.61 -178.1 6.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.019 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.9 -145.51 18.71 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.784 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -150.31 157.86 43.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 111.151 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -73.04 120.05 18.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.235 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -113.86 140.02 48.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.541 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -70.91 142.31 51.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.94 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.27 160.44 32.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.23 132.42 48.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.37 139.54 36.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.082 0.468 . . . . 0.0 111.904 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 10.9 m -131.98 156.55 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.421 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -124.39 122.39 37.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 111.314 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 53.8 m -109.4 128.35 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.158 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -82.24 113.54 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -91.57 124.54 35.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.373 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.43 HG12 ' N ' ' C' ' 55' ' ' THR . 8.8 t -71.36 156.86 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 111.137 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.89 HG22 ' HG2' ' C' ' 56' ' ' GLU . 61.4 m -144.0 -77.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.409 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 56' ' ' GLU . . . . . 0.89 ' HG2' HG22 ' C' ' 55' ' ' THR . 6.4 pt-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.823 0.344 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -88.8 122.1 31.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.473 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.518 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 41.1 m-85 -108.58 132.65 53.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.212 0.53 . . . . 0.0 111.919 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -106.55 129.9 54.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 20.2 t -142.36 124.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.671 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 18.7 mt -98.39 117.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.769 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.054 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' D' ' 25' ' ' THR . 31.1 t0 . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.365 0.602 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.519 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -51.06 -43.19 60.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.12 68.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.305 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.6 ' O ' HG23 ' D' ' 29' ' ' VAL . 31.6 m -61.83 -37.92 86.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.086 0.47 . . . . 0.0 110.427 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.666 ' O ' HG23 ' D' ' 30' ' ' VAL . 16.3 t80 -68.33 -48.61 64.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.981 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.34 -53.48 53.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.282 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -67.88 -47.52 68.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.611 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 89.4 t -63.12 -41.82 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.666 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.1 t -69.61 -45.9 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -63.17 -45.15 93.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.941 0.401 . . . . 0.0 110.478 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -45.45 90.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.3 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.608 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 3.9 t80 -66.95 -47.19 72.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.557 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 38.1 m-85 -74.87 -32.86 61.98 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.4 -30.49 62.84 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.005 0.431 . . . . 0.0 111.107 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.41 -17.41 54.05 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.368 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.636 ' OD1' HG23 ' D' ' 39' ' ' VAL . 20.6 p30 -107.76 -20.06 13.33 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.31 14.62 1.75 Allowed Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.229 -0.986 . . . . 0.0 114.203 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.636 HG23 ' OD1' ' D' ' 37' ' ' ASN . 21.7 t -89.86 143.49 11.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 117.622 0.711 . . . . 0.0 110.718 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -153.53 -178.31 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.022 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.16 -145.8 18.71 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.844 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -150.15 157.75 43.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 111.21 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -72.98 120.05 18.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.254 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -113.86 140.01 48.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.559 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -71.04 142.58 50.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.883 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.55 160.26 32.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -66.0 132.42 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.466 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.66 139.83 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 111.952 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 10.3 m -132.13 156.63 46.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.612 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -124.59 121.99 36.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.988 0.423 . . . . 0.0 111.326 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -108.99 128.46 54.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.177 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.17 113.28 19.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -91.32 124.6 35.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.342 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.422 HG12 ' N ' ' D' ' 55' ' ' THR . 7.6 t -71.67 156.7 6.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 0.0 111.109 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.893 HG22 ' HG2' ' D' ' 56' ' ' GLU . 59.8 m -143.78 -77.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.416 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 56' ' ' GLU . . . . . 0.893 ' HG2' HG22 ' D' ' 55' ' ' THR . 6.3 pt-20 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.411 ' HG3' HG23 ' D' ' 49' ' ' THR . 13.9 pt20 -91.62 124.89 36.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.161 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 43.5 m-85 -108.84 133.57 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.231 0.538 . . . . 0.0 112.093 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -106.66 126.38 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.559 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 7' ' ' LEU . 18.4 t -141.8 130.01 21.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.607 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' B' ' 1' ' ' MET . 24.9 mt -95.61 123.07 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.348 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.81 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.274 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' A' ' 25' ' ' THR . 9.9 t70 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.29 0.567 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.0 -44.69 30.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.483 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.41 -28.51 67.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.322 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.6 m -61.81 -40.49 95.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.019 0.438 . . . . 0.0 110.511 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.652 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.2 t80 -66.9 -49.18 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.873 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.04 -53.8 52.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.2 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -65.9 -49.71 67.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.702 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 62.0 t -62.53 -41.54 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 26' ' ' PHE . 66.6 t -71.42 -46.12 65.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -62.88 -45.59 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.693 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -63.3 -46.03 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.042 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.704 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.9 t80 -67.65 -46.48 72.3 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.808 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 38.7 m-85 -74.82 -33.56 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.87 -31.02 62.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.012 0.434 . . . . 0.0 110.868 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.65 -18.3 58.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.08 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.5 p30 -105.02 -20.71 13.44 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.81 15.34 1.75 Allowed Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.106 -1.045 . . . . 0.0 114.049 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.662 HG23 ' OD1' ' A' ' 37' ' ' ASN . 30.3 t -90.12 143.07 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 117.34 0.57 . . . . 0.0 110.861 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -155.22 179.97 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.012 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.96 -144.66 17.97 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.399 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -148.73 156.16 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -73.32 118.9 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.065 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.1 p -111.61 139.91 46.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.747 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.85 141.11 49.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.491 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.51 160.1 33.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.646 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.69 136.86 56.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.469 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.05 138.4 44.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.181 0.515 . . . . 0.0 111.952 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.418 HG23 ' HG3' ' D' ' 2' ' ' GLN . 47.2 m -126.67 156.51 40.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.501 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -125.02 115.97 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -107.04 127.72 53.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.375 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -81.05 115.23 20.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.486 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -91.43 124.04 35.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.388 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 55' ' ' THR . 5.8 t -71.47 156.77 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 111.275 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.409 ' N ' HG12 ' A' ' 54' ' ' VAL . 57.9 m -148.19 -69.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.916 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.433 ' HG3' HG23 ' C' ' 49' ' ' THR . 13.7 pt20 -91.49 124.71 35.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.236 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 44.2 m-85 -108.79 133.5 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.224 0.535 . . . . 0.0 112.072 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -106.45 126.51 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.615 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.495 HG12 HD12 ' B' ' 7' ' ' LEU . 18.3 t -141.92 129.87 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 111.586 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 1' ' ' MET . 25.6 mt -95.52 123.24 47.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.273 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.808 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.457 ' O ' ' HB ' ' B' ' 25' ' ' THR . 10.1 t70 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.314 0.578 . . . . 0.0 111.555 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.96 -44.62 30.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.419 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.48 -28.51 67.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.384 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.589 ' O ' HG23 ' B' ' 29' ' ' VAL . 93.6 m -61.89 -40.55 95.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.404 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.643 ' HB2' HD22 ' B' ' 7' ' ' LEU . 19.1 t80 -66.78 -49.31 66.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.8 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -55.91 -53.85 51.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.175 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -65.99 -49.49 67.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.704 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 61.3 t -62.61 -41.63 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 26' ' ' PHE . 67.6 t -71.24 -46.42 65.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -62.68 -45.56 92.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.389 . . . . 0.0 110.718 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -63.29 -46.0 88.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.154 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.702 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.9 t80 -67.62 -46.58 72.11 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.81 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 38.6 m-85 -74.85 -33.53 62.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.86 -30.87 62.18 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.988 0.423 . . . . 0.0 110.84 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.82 -18.37 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.988 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.682 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.6 p30 -104.96 -20.73 13.45 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.82 15.04 1.79 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.102 -1.047 . . . . 0.0 114.087 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.682 HG23 ' OD1' ' B' ' 37' ' ' ASN . 30.1 t -89.91 142.98 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 117.346 0.573 . . . . 0.0 110.921 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -155.16 179.86 8.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.081 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.26 -144.56 17.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -148.92 156.08 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.28 118.76 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.2 p -111.46 139.89 46.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.79 141.18 49.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.525 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.56 160.17 33.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.67 136.77 56.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.55 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.89 138.37 43.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.142 0.496 . . . . 0.0 111.914 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.419 HG23 ' HG3' ' C' ' 2' ' ' GLN . 47.9 m -126.64 156.61 40.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.473 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -125.08 115.93 21.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.013 0.435 . . . . 0.0 111.079 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 55.4 m -107.1 127.87 53.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.319 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -81.04 115.13 20.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.503 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.9 m -91.38 123.93 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.356 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.423 HG12 ' N ' ' B' ' 55' ' ' THR . 6.0 t -71.4 156.83 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 0.0 111.24 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.423 ' N ' HG12 ' B' ' 54' ' ' VAL . 58.2 m -148.36 -69.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.95 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.426 ' O ' ' HA ' ' D' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.419 ' HG3' HG23 ' B' ' 49' ' ' THR . 13.7 pt20 -91.67 124.88 36.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.225 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.431 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 43.6 m-85 -108.78 133.47 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.277 0.561 . . . . 0.0 112.09 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -106.52 126.43 52.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.527 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.508 HG12 HD12 ' C' ' 7' ' ' LEU . 18.9 t -141.9 129.91 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.493 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' D' ' 1' ' ' MET . 25.2 mt -95.55 123.13 47.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.344 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.798 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' C' ' 25' ' ' THR . 9.8 t70 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 121.283 0.563 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.03 -44.72 31.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.455 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.4 -28.42 67.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.379 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.598 ' O ' HG23 ' C' ' 29' ' ' VAL . 93.9 m -61.86 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 110.415 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.641 ' HB2' HD22 ' C' ' 7' ' ' LEU . 19.3 t80 -67.05 -49.26 65.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.773 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -55.94 -53.94 50.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.162 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -65.94 -49.81 66.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.683 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 61.3 t -62.37 -41.47 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.623 HG23 ' O ' ' C' ' 26' ' ' PHE . 70.9 t -71.45 -46.08 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -62.85 -45.67 91.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.938 0.399 . . . . 0.0 110.729 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -63.11 -46.18 88.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.686 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.0 t80 -67.46 -46.59 72.6 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 38.6 m-85 -74.88 -33.55 62.09 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.85 -30.92 62.24 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.801 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -61.77 -18.3 59.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.997 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.681 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.7 p30 -105.0 -20.79 13.42 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.79 15.3 1.76 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.099 -1.048 . . . . 0.0 114.051 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.681 HG23 ' OD1' ' C' ' 37' ' ' ASN . 30.6 t -90.04 142.89 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 117.377 0.588 . . . . 0.0 110.917 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -155.17 179.92 8.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.925 0.393 . . . . 0.0 111.04 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.1 -144.62 17.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.359 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -148.89 156.07 41.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.906 0.384 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.25 118.76 16.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 66.3 p -111.36 139.86 46.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.735 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -71.77 141.07 49.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.51 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.55 160.16 33.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.655 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.66 136.89 56.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.498 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.97 138.27 44.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.057 0.456 . . . . 0.0 111.984 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 49' ' ' THR . . . . . 0.433 HG23 ' HG3' ' B' ' 2' ' ' GLN . 46.8 m -126.61 156.58 40.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.433 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -125.0 115.88 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -107.02 127.8 53.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.414 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -81.05 115.25 20.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.641 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 88.4 m -91.46 124.01 35.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.371 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.413 HG12 ' N ' ' C' ' 55' ' ' THR . 5.8 t -71.46 156.71 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 111.283 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.413 ' N ' HG12 ' C' ' 54' ' ' VAL . 57.3 m -148.2 -68.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.423 ' O ' ' HA ' ' C' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 2' ' ' GLN . . . . . 0.418 ' HG3' HG23 ' A' ' 49' ' ' THR . 13.9 pt20 -91.66 124.7 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.145 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.439 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 43.8 m-85 -108.61 133.46 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.227 0.537 . . . . 0.0 112.067 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -106.53 126.39 52.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.596 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.486 HG12 HD12 ' D' ' 7' ' ' LEU . 18.3 t -141.78 129.92 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.601 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 6' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' C' ' 1' ' ' MET . 26.0 mt -95.55 123.19 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.358 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.809 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' D' ' 25' ' ' THR . 10.2 t70 . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 121.337 0.589 . . . . 0.0 111.511 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.07 -44.5 31.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.512 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.49 67.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.346 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.6 ' O ' HG23 ' D' ' 29' ' ' VAL . 94.7 m -61.74 -40.61 95.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.458 . . . . 0.0 110.485 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.637 ' HB2' HD22 ' D' ' 7' ' ' LEU . 19.3 t80 -66.86 -49.22 66.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 27' ' ' GLU . . . . . 0.401 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 51.7 mt-10 -56.04 -53.79 52.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.196 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -66.06 -49.48 67.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.686 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 61.6 t -62.56 -41.64 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.634 HG23 ' O ' ' D' ' 26' ' ' PHE . 67.7 t -71.26 -46.25 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -62.79 -45.63 91.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.635 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -63.32 -45.93 89.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.683 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.9 t80 -67.61 -46.56 72.2 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 38.5 m-85 -74.87 -33.58 62.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.85 -30.89 62.19 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.983 0.42 . . . . 0.0 110.881 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -61.81 -18.42 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.919 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.67 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.6 p30 -104.91 -20.58 13.51 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.81 14.97 1.8 Allowed Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.098 -1.048 . . . . 0.0 114.058 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.67 HG23 ' OD1' ' D' ' 37' ' ' ASN . 29.5 t -90.0 142.99 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 117.446 0.623 . . . . 0.0 110.88 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -155.14 -179.98 8.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.99 -144.66 17.97 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -148.8 156.13 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 43' ' ' TRP . . . . . 0.401 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 94.1 m95 -73.34 118.9 16.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.024 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -111.5 139.93 46.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.717 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.75 141.05 49.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.508 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.49 160.08 33.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.667 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.56 136.93 56.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.63 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.9 138.4 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.969 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 49' ' ' THR . . . . . 0.411 HG23 ' HG3' ' A' ' 2' ' ' GLN . 47.6 m -126.85 156.54 41.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.42 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -124.99 115.96 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.385 . . . . 0.0 111.231 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -107.04 127.87 53.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.37 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -81.18 115.3 20.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.51 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 82.6 m -91.57 123.93 35.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.33 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.416 HG12 ' N ' ' D' ' 55' ' ' THR . 5.8 t -71.47 156.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.942 0.401 . . . . 0.0 111.268 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.416 ' N ' HG12 ' D' ' 54' ' ' VAL . 57.6 m -147.94 -68.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.96 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.729 0.299 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -89.4 122.61 32.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.468 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.44 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 41.4 m-85 -110.53 135.26 51.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.479 0.657 . . . . 0.0 112.375 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -106.49 132.65 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.774 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.534 HG12 HD12 ' A' ' 7' ' ' LEU . 21.3 t -142.2 127.56 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 mt -98.58 125.19 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.478 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.777 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' A' ' 25' ' ' THR . 1.9 m-20 . . . . . 0 CA--C 1.519 -0.237 0 CA-C-O 121.28 0.562 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -49.42 -43.72 44.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.14 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.58 -29.46 68.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.347 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.634 ' O ' HG23 ' A' ' 29' ' ' VAL . 73.9 m -62.56 -39.95 95.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.4 t80 -67.42 -43.69 80.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.722 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 2.6 tt0 -58.53 -53.93 52.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.25 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -68.17 -46.72 69.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 25' ' ' THR . 60.5 t -63.36 -43.36 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 26' ' ' PHE . 48.5 t -72.12 -43.91 65.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -63.45 -46.48 86.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 110.79 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -64.18 -44.66 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.386 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.621 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 5.1 t80 -67.8 -47.68 68.41 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 40.8 m-85 -74.22 -32.81 63.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -56.83 -30.42 63.75 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.104 0.478 . . . . 0.0 110.734 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.54 -18.38 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.912 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.733 ' OD1' HG23 ' A' ' 39' ' ' VAL . 20.6 p30 -105.99 -21.74 13.07 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.45 13.92 1.81 Allowed Glycine 0 CA--C 1.521 0.406 0 C-N-CA 120.166 -1.016 . . . . 0.0 114.021 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.733 HG23 ' OD1' ' A' ' 37' ' ' ASN . 25.3 t -89.12 143.31 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 117.294 0.547 . . . . 0.0 110.83 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.85 -179.49 8.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.996 0.427 . . . . 0.0 111.245 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.98 -145.11 18.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.404 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -147.78 154.81 40.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.378 . . . . 0.0 111.034 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.459 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 89.8 m95 -74.05 118.68 17.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.182 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.0 p -110.38 141.51 43.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.527 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.22 141.16 52.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.479 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.28 160.95 31.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.009 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -65.67 127.45 31.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.565 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.55 144.05 27.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.794 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -140.77 156.35 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.287 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -121.81 123.73 42.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.019 0.437 . . . . 0.0 111.283 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -106.93 131.05 54.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.405 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -80.56 119.44 23.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -94.51 124.0 38.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.354 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 55' ' ' THR . 6.1 t -70.98 156.04 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.424 . . . . 0.0 111.196 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.402 ' N ' HG12 ' A' ' 54' ' ' VAL . 42.6 m -149.54 -67.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.904 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -89.27 122.53 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.457 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.437 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 41.7 m-85 -110.35 135.2 51.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.483 0.658 . . . . 0.0 112.308 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -106.53 132.68 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.729 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.536 HG12 HD12 ' B' ' 7' ' ' LEU . 21.4 t -142.24 127.44 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 22.2 mt -98.43 125.25 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.366 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.78 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.33 -0.248 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' B' ' 25' ' ' THR . 2.0 m-20 . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 121.448 0.642 . . . . 0.0 111.825 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -49.66 -43.89 47.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.126 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.27 -29.47 69.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.383 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.637 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.0 m -62.76 -39.82 95.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.654 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.4 t80 -67.44 -43.9 80.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.723 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 2.6 tt0 -58.32 -53.95 52.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.365 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -68.19 -46.72 69.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 25' ' ' THR . 60.0 t -63.34 -43.27 98.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 26' ' ' PHE . 48.9 t -72.18 -43.93 65.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -63.54 -46.35 86.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -64.21 -44.58 91.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.453 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.2 t80 -67.8 -47.72 68.29 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.777 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 40.7 m-85 -74.27 -32.74 63.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -56.85 -30.52 63.88 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.029 0.442 . . . . 0.0 110.694 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -61.52 -18.42 59.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.898 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.73 ' OD1' HG23 ' B' ' 39' ' ' VAL . 20.6 p30 -105.92 -21.91 13.04 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.68 13.66 1.8 Allowed Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.975 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.73 HG23 ' OD1' ' B' ' 37' ' ' ASN . 25.2 t -88.96 143.35 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.331 0.565 . . . . 0.0 110.877 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -157.85 -179.34 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.76 -144.9 18.14 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.403 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -147.97 154.7 40.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.918 0.39 . . . . 0.0 111.005 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 89.7 m95 -73.83 118.6 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.5 p -110.36 141.52 43.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.398 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -70.25 140.99 52.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.394 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.08 160.99 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -65.63 127.3 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.14 143.6 26.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.671 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.9 m -140.63 156.31 46.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.276 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -121.72 123.93 43.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.461 . . . . 0.0 111.359 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 54.6 m -107.13 130.99 54.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.409 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -80.57 119.44 23.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.377 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 87.6 m -94.52 124.03 38.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 55' ' ' THR . 6.2 t -70.86 156.13 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.412 ' N ' HG12 ' B' ' 54' ' ' VAL . 43.2 m -149.66 -67.66 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.872 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.762 0.315 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.3 122.61 32.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.445 ' CD2' ' CD2' ' D' ' 26' ' ' PHE . 41.7 m-85 -110.46 135.28 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.389 0.614 . . . . 0.0 112.438 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -106.52 132.57 52.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' VAL . . . . . 0.531 HG12 HD12 ' C' ' 7' ' ' LEU . 21.3 t -142.21 127.51 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 22.6 mt -98.45 125.21 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.788 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.33 -0.262 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.448 ' O ' ' HB ' ' C' ' 25' ' ' THR . 1.9 m-20 . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 121.302 0.572 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.419 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -49.36 -43.78 44.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.031 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.54 -29.54 68.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.302 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.636 ' O ' HG23 ' C' ' 29' ' ' VAL . 71.6 m -62.7 -39.87 95.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.65 ' O ' HG23 ' C' ' 30' ' ' VAL . 19.4 t80 -67.33 -43.85 80.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.804 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 2.6 tt0 -58.35 -53.96 52.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.347 -179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -68.22 -46.66 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 60.0 t -63.31 -43.31 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' C' ' 26' ' ' PHE . 48.7 t -72.13 -43.93 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.51 -46.37 86.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -64.34 -44.65 90.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.341 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.622 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.1 t80 -67.65 -47.72 68.74 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.776 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 40.2 m-85 -74.37 -32.74 62.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -56.86 -30.48 63.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.05 0.452 . . . . 0.0 110.703 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.58 -18.35 58.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.87 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.737 ' OD1' HG23 ' C' ' 39' ' ' VAL . 20.5 p30 -105.89 -21.95 13.04 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.54 13.91 1.8 Allowed Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.959 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.737 HG23 ' OD1' ' C' ' 37' ' ' ASN . 25.2 t -89.16 143.37 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.323 0.561 . . . . 0.0 110.794 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.92 -179.43 8.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.81 -145.14 18.2 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.407 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -147.8 154.73 40.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.895 0.379 . . . . 0.0 111.073 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' TRP . . . . . 0.453 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 89.7 m95 -73.81 118.64 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -110.44 141.48 43.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.451 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -70.19 141.07 52.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.484 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.25 161.01 31.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.989 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.8 127.48 32.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.53 143.77 28.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.764 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 6.7 m -140.57 156.37 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.23 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -121.74 123.89 42.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 0.0 111.309 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -107.03 130.95 54.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.347 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.48 119.42 23.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.349 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 86.4 m -94.36 124.02 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.395 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.408 HG12 ' N ' ' C' ' 55' ' ' THR . 6.2 t -70.99 156.14 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.945 0.402 . . . . 0.0 111.2 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.408 ' N ' HG12 ' C' ' 54' ' ' VAL . 44.9 m -149.73 -67.53 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.88 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.804 0.335 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -89.29 122.52 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.431 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 41.4 m-85 -110.39 135.22 51.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.397 0.617 . . . . 0.0 112.32 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -106.57 132.63 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.705 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 5' ' ' VAL . . . . . 0.549 HG12 HD12 ' D' ' 7' ' ' LEU . 21.3 t -142.2 127.53 17.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 22.5 mt -98.46 125.21 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.345 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.776 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' D' ' 25' ' ' THR . 1.9 m-20 . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 121.266 0.555 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.415 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -49.36 -43.82 44.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.114 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.46 68.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.382 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.636 ' O ' HG23 ' D' ' 29' ' ' VAL . 75.0 m -62.59 -40.03 95.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.65 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.3 t80 -67.28 -43.8 80.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.723 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 27' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 2.6 tt0 -58.31 -53.98 52.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.294 -179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -68.32 -46.64 69.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.636 HG23 ' O ' ' D' ' 25' ' ' THR . 60.3 t -63.43 -43.29 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' D' ' 26' ' ' PHE . 48.6 t -72.19 -43.77 65.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.67 -46.28 86.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -64.26 -44.58 91.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.433 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.2 t80 -67.83 -47.71 68.23 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 40.5 m-85 -74.25 -32.75 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -56.93 -30.34 63.91 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.011 0.434 . . . . 0.0 110.751 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.69 -18.28 58.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.946 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.735 ' OD1' HG23 ' D' ' 39' ' ' VAL . 20.5 p30 -105.88 -21.95 13.04 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.66 13.76 1.79 Allowed Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.134 -1.031 . . . . 0.0 113.936 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.735 HG23 ' OD1' ' D' ' 37' ' ' ASN . 25.0 t -89.04 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.354 0.577 . . . . 0.0 110.861 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.81 -179.23 7.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 111.219 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.68 -145.05 18.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -147.88 154.68 40.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 110.978 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 43' ' ' TRP . . . . . 0.461 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 89.7 m95 -73.86 118.68 17.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.198 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -110.35 141.53 43.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.412 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -70.21 141.15 52.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.511 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.17 160.94 31.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.993 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -65.67 127.33 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.36 144.0 26.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.775 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -140.85 156.27 46.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.284 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -121.68 123.89 42.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.004 0.43 . . . . 0.0 111.3 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -107.12 130.91 54.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.443 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -80.36 119.45 23.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.391 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.9 m -94.51 124.05 38.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.4 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.404 HG12 ' N ' ' D' ' 55' ' ' THR . 6.1 t -70.97 156.02 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 111.152 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.404 ' N ' HG12 ' D' ' 54' ' ' VAL . 43.1 m -149.5 -67.63 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.863 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.35 124.4 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.423 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.516 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 39.2 m-85 -108.96 125.84 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.22 0.533 . . . . 0.0 111.945 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -106.65 120.99 43.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.503 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.18 129.36 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.726 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.1 mt -92.69 117.13 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.886 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.66 HD11 ' CE1' ' B' ' 34' ' ' PHE . 5.5 tp . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 120.795 0.331 . . . . 0.0 111.013 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 25' ' ' THR . 8.1 t70 . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 121.384 0.611 . . . . 0.0 111.672 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.52 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -53.51 -42.14 67.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.17 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.31 -32.17 73.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.9 m -62.89 -36.26 82.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.118 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 30' ' ' VAL . 29.5 t80 -64.72 -47.22 79.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.789 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.98 -49.51 77.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.875 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.0 -49.91 63.87 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.652 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 62.3 t -63.93 -43.3 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.0 t -69.76 -45.54 77.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.055 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -65.11 -44.83 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.016 0.436 . . . . 0.0 110.572 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -64.8 -43.67 92.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.424 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.645 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.23 -46.72 72.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.663 ' CE1' HD11 ' B' ' 7' ' ' LEU . 30.5 m-85 -78.33 -32.01 48.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -53.81 -29.27 39.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 111.061 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -61.53 -17.34 54.42 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.961 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.501 ' OD1' HG23 ' A' ' 39' ' ' VAL . 10.4 p30 -103.69 -19.08 14.45 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.53 15.43 2.21 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.197 -1.001 . . . . 0.0 113.914 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.501 HG23 ' OD1' ' A' ' 37' ' ' ASN . 28.3 t -89.16 143.26 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 117.128 0.464 . . . . 0.0 110.873 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -154.54 -178.87 7.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.416 . . . . 0.0 111.169 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.31 -144.32 18.0 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.286 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.48 156.77 42.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -73.19 119.36 17.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -112.73 140.22 47.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.602 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -71.87 146.25 48.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.725 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.69 155.77 40.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -67.02 137.2 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 137.36 45.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.08 0.467 . . . . 0.0 111.767 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.3 m -132.29 156.49 46.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.579 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 147.21 41.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.937 0.399 . . . . 0.0 111.138 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -141.01 125.36 17.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.181 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.34 117.31 21.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.482 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.2 m -92.57 123.4 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.257 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.67 155.97 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 111.072 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.4 m -147.93 -70.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.918 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.34 124.45 33.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.52 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 39.2 m-85 -108.94 125.9 52.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.224 0.535 . . . . 0.0 111.967 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -106.65 120.86 43.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.495 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.09 129.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.03 0.443 . . . . 0.0 111.629 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 33.7 mt -92.66 117.18 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.87 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.663 HD11 ' CE1' ' A' ' 34' ' ' PHE . 5.5 tp . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.371 . . . . 0.0 110.992 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' B' ' 25' ' ' THR . 8.1 t70 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 121.281 0.562 . . . . 0.0 111.73 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.516 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -53.57 -41.99 67.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.269 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.35 -32.2 73.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.511 ' O ' HG23 ' B' ' 29' ' ' VAL . 30.2 m -63.0 -36.1 82.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.126 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.609 ' O ' HG23 ' B' ' 30' ' ' VAL . 29.3 t80 -64.77 -47.27 78.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.768 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.97 -49.49 77.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.884 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.02 -49.86 63.93 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.645 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 63.1 t -64.06 -43.25 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 26' ' ' PHE . 61.5 t -69.84 -45.48 76.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.367 -0.378 . . . . 0.0 112.005 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -65.15 -44.82 87.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 110.566 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -64.78 -43.6 92.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.541 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.652 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.7 t80 -67.29 -46.74 72.68 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.66 ' CE1' HD11 ' A' ' 7' ' ' LEU . 30.6 m-85 -78.24 -31.95 49.46 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -53.86 -29.26 40.53 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.95 0.405 . . . . 0.0 111.07 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -61.61 -17.33 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.93 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.5 ' OD1' HG23 ' B' ' 39' ' ' VAL . 10.4 p30 -103.72 -18.93 14.49 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.35 15.5 2.24 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.903 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.5 HG23 ' OD1' ' B' ' 37' ' ' ASN . 28.7 t -89.11 143.21 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.169 0.485 . . . . 0.0 110.892 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -154.63 -178.95 7.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.402 . . . . 0.0 111.22 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.42 -144.36 17.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.239 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -149.43 156.71 42.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -73.1 119.39 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -112.74 140.23 47.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.611 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.88 146.3 47.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.721 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.76 155.72 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -66.94 137.1 56.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.629 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.73 137.3 44.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.014 0.435 . . . . 0.0 111.798 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.1 m -132.29 156.46 46.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.673 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.78 147.39 41.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.971 0.415 . . . . 0.0 111.133 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 42.3 m -141.1 125.35 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.201 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.34 117.32 21.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.507 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -92.47 123.34 35.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.341 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.404 HG12 ' N ' ' B' ' 55' ' ' THR . 5.3 t -70.68 156.19 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 111.047 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.404 ' N ' HG12 ' B' ' 54' ' ' VAL . 69.5 m -148.1 -69.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.936 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.781 0.325 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.3 124.46 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.34 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.498 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 39.1 m-85 -109.07 125.85 52.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.361 0.601 . . . . 0.0 111.965 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -106.67 120.86 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.51 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.07 129.38 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.647 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.3 mt -92.78 117.19 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.831 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.65 HD11 ' CE1' ' D' ' 34' ' ' PHE . 5.5 tp . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.015 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.442 ' O ' ' HB ' ' C' ' 25' ' ' THR . 8.1 t70 . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 121.344 0.592 . . . . 0.0 111.587 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.503 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -53.34 -42.05 66.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.161 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.21 73.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.503 ' O ' HG23 ' C' ' 29' ' ' VAL . 32.1 m -62.9 -36.25 82.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.122 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.61 ' O ' HG23 ' C' ' 30' ' ' VAL . 29.0 t80 -64.64 -47.31 79.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.861 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.93 -49.49 77.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.878 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.07 -49.82 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 63.2 t -64.04 -43.33 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.61 HG23 ' O ' ' C' ' 26' ' ' PHE . 60.7 t -69.76 -45.46 77.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.055 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.17 -44.86 87.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.517 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -64.7 -43.6 92.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.594 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.7 t80 -67.34 -46.77 72.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.655 ' CE1' HD11 ' D' ' 7' ' ' LEU . 30.4 m-85 -78.25 -31.92 49.41 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -53.88 -29.25 40.76 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.113 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -61.53 -17.37 54.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.899 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.502 ' OD1' HG23 ' C' ' 39' ' ' VAL . 10.4 p30 -103.72 -18.91 14.5 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.41 15.5 2.23 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.913 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.502 HG23 ' OD1' ' C' ' 37' ' ' ASN . 28.5 t -89.15 143.14 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 117.142 0.471 . . . . 0.0 110.841 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -154.59 -178.79 7.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.944 0.402 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.25 -144.37 18.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.216 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.47 156.65 42.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.381 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -73.09 119.37 17.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 80.7 p -112.7 140.1 47.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.582 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.84 146.34 48.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.708 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.81 155.75 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.96 137.14 56.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.626 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 137.2 45.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.801 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -132.2 156.49 46.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.583 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 147.34 41.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.025 0.44 . . . . 0.0 111.085 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 41.5 m -141.15 125.35 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.152 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -81.26 117.37 21.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.552 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 87.4 m -92.55 123.37 35.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.221 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.4 HG12 ' N ' ' C' ' 55' ' ' THR . 5.3 t -70.62 156.23 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.4 ' N ' HG12 ' C' ' 54' ' ' VAL . 67.4 m -148.13 -70.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.885 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.807 0.337 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.33 124.43 33.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.503 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 38.9 m-85 -108.99 125.9 52.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.227 0.537 . . . . 0.0 111.96 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -106.69 120.98 43.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.508 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.15 129.32 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.438 . . . . 0.0 111.684 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 33.3 mt -92.66 117.22 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.965 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.655 HD11 ' CE1' ' C' ' 34' ' ' PHE . 5.5 tp . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.339 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' D' ' 25' ' ' THR . 7.9 t70 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.386 0.612 . . . . 0.0 111.76 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.498 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -53.54 -42.02 67.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.172 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.29 73.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.507 ' O ' HG23 ' D' ' 29' ' ' VAL . 32.7 m -62.79 -36.23 82.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.191 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.616 ' O ' HG23 ' D' ' 30' ' ' VAL . 29.3 t80 -64.77 -47.19 79.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.793 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.03 -49.5 77.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.811 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -66.97 -49.95 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 62.5 t -63.9 -43.35 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.616 HG23 ' O ' ' D' ' 26' ' ' PHE . 60.9 t -69.74 -45.61 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.022 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.11 -44.87 87.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.921 0.391 . . . . 0.0 110.493 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -64.69 -43.64 92.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.516 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.7 t80 -67.36 -46.64 72.74 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.65 ' CE1' HD11 ' C' ' 7' ' ' LEU . 30.4 m-85 -78.33 -31.94 48.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -53.84 -29.25 40.2 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -61.54 -17.26 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.991 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.49 ' OD1' HG23 ' D' ' 39' ' ' VAL . 10.4 p30 -103.83 -18.93 14.45 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.41 15.51 2.22 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.241 -0.981 . . . . 0.0 113.914 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.49 HG23 ' OD1' ' D' ' 37' ' ' ASN . 28.6 t -89.19 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 117.205 0.502 . . . . 0.0 110.873 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -154.52 -178.77 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.199 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.25 -144.4 18.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.304 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.41 156.65 42.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -73.09 119.38 17.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.0 p -112.68 140.13 47.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.61 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.8 146.32 48.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.71 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.83 155.75 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.98 137.2 56.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.78 137.09 45.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.782 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -132.13 156.41 46.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.89 147.29 41.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.964 0.412 . . . . 0.0 111.145 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 42.9 m -141.09 125.4 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.156 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -81.32 117.36 21.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.478 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -92.6 123.42 35.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.252 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.403 HG12 ' N ' ' D' ' 55' ' ' THR . 5.3 t -70.73 156.11 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 111.029 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.403 ' N ' HG12 ' D' ' 54' ' ' VAL . 63.5 m -147.99 -70.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.984 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.983 0.42 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.68 ' HG3' HG23 ' D' ' 49' ' ' THR . 9.8 pt20 -95.6 127.42 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.482 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.508 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 36.0 m-85 -107.93 130.99 54.99 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.273 0.559 . . . . 0.0 112.339 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -107.18 124.26 49.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.855 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.23 125.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.304 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -95.9 117.17 39.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.523 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.961 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' A' ' 25' ' ' THR . 5.8 m-20 . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 121.326 0.584 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.47 -43.04 64.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.148 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.33 74.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.999 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 29' ' ' VAL . 17.2 m -62.72 -38.95 92.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.212 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 30' ' ' VAL . 72.5 t80 -64.19 -51.39 63.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.852 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 59.1 mt-10 -55.62 -49.39 72.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.842 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -67.65 -48.79 65.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 25' ' ' THR . 59.5 t -64.38 -43.48 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.1 t -68.4 -43.84 83.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.67 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -65.87 -44.68 84.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.897 0.379 . . . . 0.0 110.787 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.23 -41.6 94.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.324 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.497 ' HZ ' HG22 ' B' ' 25' ' ' THR . 3.8 t80 -68.46 -48.88 63.36 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' HB3' HG21 ' A' ' 39' ' ' VAL . 26.6 m-85 -77.55 -30.76 52.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.2 -28.1 50.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.949 0.404 . . . . 0.0 111.043 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.11 -17.33 52.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.066 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' OD1' HG23 ' A' ' 39' ' ' VAL . 12.3 p30 -104.47 -15.75 15.28 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.61 16.62 2.48 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.641 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' A' ' 34' ' ' PHE . 20.5 t -89.4 143.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 117.084 0.442 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -155.81 -178.93 7.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.23 -144.29 18.01 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.318 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -150.34 157.38 43.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 96.5 m95 -74.05 116.14 14.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.103 0.478 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.0 p -109.71 140.97 42.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.64 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -71.6 142.52 49.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.776 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 160.04 33.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.71 134.76 52.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.62 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.28 139.75 41.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.088 0.47 . . . . 0.0 111.874 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.653 HG23 ' HG3' ' D' ' 2' ' ' GLN . 11.2 m -130.01 156.42 44.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.692 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -125.45 119.79 29.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.975 0.417 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.9 m -109.97 130.79 55.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.453 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -80.63 115.05 19.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.383 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -89.69 123.17 33.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.352 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.34 155.05 7.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 111.101 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 m -147.1 -69.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.895 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.925 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.0 mmm . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.925 0.393 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.649 ' HG3' HG23 ' C' ' 49' ' ' THR . 9.9 pt20 -95.59 127.63 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.402 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.505 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 36.4 m-85 -108.13 130.81 55.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.249 0.547 . . . . 0.0 112.435 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -107.01 124.09 49.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.957 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.18 125.32 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 mt -95.71 117.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.6 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' B' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.915 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.419 ' O ' ' HB ' ' B' ' 25' ' ' THR . 5.3 m-20 . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 121.282 0.563 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.508 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -52.28 -43.15 64.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.58 -33.47 75.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.639 ' O ' HG23 ' B' ' 29' ' ' VAL . 17.4 m -62.69 -39.02 92.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.205 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.647 ' O ' HG23 ' B' ' 30' ' ' VAL . 72.8 t80 -64.23 -51.12 65.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.836 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.403 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 60.0 mt-10 -55.92 -49.25 73.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.824 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -67.74 -48.69 65.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 25' ' ' THR . 59.9 t -64.51 -43.35 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.647 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.7 t -68.55 -43.63 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.615 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -65.92 -44.8 84.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.748 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -65.19 -41.44 94.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.4 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.498 ' HZ ' HG22 ' A' ' 25' ' ' THR . 3.8 t80 -68.57 -48.91 63.01 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.519 ' HB3' HG21 ' B' ' 39' ' ' VAL . 26.9 m-85 -77.54 -30.68 52.91 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.23 -28.24 51.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.967 0.413 . . . . 0.0 111.062 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -60.93 -17.42 51.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.142 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.437 ' OD1' HG23 ' B' ' 39' ' ' VAL . 12.2 p30 -104.59 -15.66 15.24 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.54 16.75 2.48 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.348 -0.929 . . . . 0.0 113.616 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 34' ' ' PHE . 20.6 t -89.55 143.22 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 117.12 0.46 . . . . 0.0 111.14 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.73 -178.55 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.95 -144.47 18.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.207 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -150.35 157.38 42.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.811 0.339 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 96.6 m95 -74.1 116.24 14.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.173 0.511 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 49.3 p -109.91 140.97 43.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.574 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.51 142.5 50.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.792 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 159.79 33.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.974 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.37 134.22 52.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.79 139.84 38.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 111.91 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.644 HG23 ' HG3' ' C' ' 2' ' ' GLN . 11.1 m -130.19 156.52 44.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -125.45 119.86 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 29.4 m -110.02 130.81 55.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.525 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -80.7 115.07 20.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.338 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -89.62 123.24 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.437 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.34 155.25 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.925 0.393 . . . . 0.0 111.065 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.5 m -147.34 -69.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.981 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmm . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.974 0.416 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.644 ' HG3' HG23 ' B' ' 49' ' ' THR . 9.8 pt20 -95.68 127.55 41.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.438 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.552 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 36.3 m-85 -108.02 130.89 55.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.31 0.576 . . . . 0.0 112.314 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -107.04 124.01 49.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.05 125.38 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.269 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 37.0 mt -95.84 117.16 39.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.491 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' C' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.078 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' C' ' 25' ' ' THR . 5.1 m-20 . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 121.203 0.525 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.53 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -52.43 -43.2 64.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.177 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.22 74.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.635 ' O ' HG23 ' C' ' 29' ' ' VAL . 16.9 m -62.92 -38.95 93.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.195 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.653 ' O ' HG23 ' C' ' 30' ' ' VAL . 73.0 t80 -64.25 -51.1 65.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.791 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -55.8 -49.4 73.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.829 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -67.73 -48.53 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.635 HG23 ' O ' ' C' ' 25' ' ' THR . 58.7 t -64.46 -43.5 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.653 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.6 t -68.49 -43.62 83.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.658 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -66.06 -44.68 83.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.766 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -65.25 -41.4 94.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.315 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.532 ' HZ ' HG22 ' D' ' 25' ' ' THR . 3.8 t80 -68.54 -49.09 62.18 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.512 ' HB3' HG21 ' C' ' 39' ' ' VAL . 26.8 m-85 -77.44 -30.82 53.55 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -28.19 51.16 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 122.019 -0.426 . . . . 0.0 111.031 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.91 -17.52 51.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.105 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.437 ' OD1' HG23 ' C' ' 39' ' ' VAL . 12.3 p30 -104.58 -15.45 15.31 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.43 16.62 2.52 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.298 -0.954 . . . . 0.0 113.667 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' C' ' 34' ' ' PHE . 21.1 t -89.48 143.11 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 117.086 0.443 . . . . 0.0 111.045 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -155.8 -179.39 8.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.73 -144.17 17.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.209 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -150.48 157.48 43.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -74.18 116.22 14.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 49.9 p -109.9 140.97 43.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.69 142.44 49.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.745 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.2 160.0 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.88 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.67 134.54 52.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.482 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.23 140.19 39.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.961 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' THR . . . . . 0.649 HG23 ' HG3' ' B' ' 2' ' ' GLN . 10.3 m -130.36 156.53 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.67 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -125.51 119.66 28.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.402 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -109.87 130.67 55.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -80.69 115.23 20.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.401 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -89.82 123.28 33.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.408 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.41 155.19 7.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 65.5 m -147.34 -69.26 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.888 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mmm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.905 0.384 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 2' ' ' GLN . . . . . 0.653 ' HG3' HG23 ' A' ' 49' ' ' THR . 9.6 pt20 -95.76 127.35 41.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.51 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.53 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 36.6 m-85 -107.93 130.85 55.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.219 0.533 . . . . 0.0 112.336 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -107.04 124.11 49.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.911 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.09 125.48 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.239 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 mt -95.9 117.15 39.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.584 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.448 HD22 ' HB2' ' D' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.983 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.432 ' O ' ' HB ' ' D' ' 25' ' ' THR . 5.6 m-20 . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 121.542 0.687 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.552 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -52.57 -43.38 65.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.179 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.4 75.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.63 ' O ' HG23 ' D' ' 29' ' ' VAL . 17.1 m -62.8 -38.82 92.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.202 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.658 ' O ' HG23 ' D' ' 30' ' ' VAL . 72.9 t80 -64.34 -51.23 64.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.877 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -55.63 -49.4 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.867 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -67.78 -48.67 65.71 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.63 HG23 ' O ' ' D' ' 25' ' ' THR . 60.1 t -64.32 -43.42 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.658 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.0 t -68.48 -43.88 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.59 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -65.86 -44.77 84.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.915 0.388 . . . . 0.0 110.728 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -65.2 -41.37 94.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.333 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.539 ' HZ ' HG22 ' C' ' 25' ' ' THR . 3.8 t80 -68.53 -48.93 63.06 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.51 ' HB3' HG21 ' D' ' 39' ' ' VAL . 26.9 m-85 -77.58 -30.87 52.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.07 -28.18 50.41 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.978 0.418 . . . . 0.0 111.101 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -60.98 -17.42 51.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.059 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.441 ' OD1' HG23 ' D' ' 39' ' ' VAL . 12.2 p30 -104.61 -15.66 15.23 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.58 16.56 2.5 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 120.289 -0.957 . . . . 0.0 113.591 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.51 HG21 ' HB3' ' D' ' 34' ' ' PHE . 20.6 t -89.32 143.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 117.07 0.435 . . . . 0.0 111.124 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -155.87 -179.11 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.195 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.41 -144.34 17.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.21 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -150.3 157.27 42.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -74.0 116.26 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.098 0.475 . . . . 0.0 111.026 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -109.9 141.17 43.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.563 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -71.77 142.59 49.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.807 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.31 159.98 33.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.866 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.44 134.22 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.55 139.26 38.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 111.848 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 49' ' ' THR . . . . . 0.68 HG23 ' HG3' ' A' ' 2' ' ' GLN . 10.6 m -129.8 156.54 44.17 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.729 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -125.7 119.57 28.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.931 0.396 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 28.9 m -109.82 130.76 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.69 115.29 20.12 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.413 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -89.78 123.39 33.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.399 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.54 155.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.886 0.374 . . . . 0.0 111.085 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 67.0 m -147.26 -69.25 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.775 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.009 179.971 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.896 0.379 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -89.94 123.71 34.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.543 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.662 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 37.5 m-85 -110.3 132.35 54.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.457 0.646 . . . . 0.0 112.192 -179.56 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -106.4 126.19 51.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.758 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.25 121.64 9.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.05 117.16 38.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.68 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.434 HD13 ' HB2' ' A' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.542 ' O ' ' HB ' ' A' ' 25' ' ' THR . 14.9 t70 . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 121.251 0.548 . . . . 0.0 112.124 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -47.08 -41.68 17.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.278 179.522 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.54 66.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 179.61 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 29' ' ' VAL . 38.2 m -61.25 -38.23 85.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.425 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.713 ' O ' HG23 ' A' ' 30' ' ' VAL . 30.8 t80 -69.43 -49.47 54.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.753 178.639 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -53.37 -52.29 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.953 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -66.15 -48.9 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.521 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.723 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 66.2 t -62.55 -41.08 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.5 t -70.26 -45.46 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.248 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -63.65 -45.56 89.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.022 0.439 . . . . 0.0 110.403 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.06 -46.74 86.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.153 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.724 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 5.0 t80 -67.44 -46.39 73.25 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.529 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 35.1 m-85 -74.53 -33.05 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.62 -31.1 61.99 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.846 178.503 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -61.9 -18.57 60.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.059 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.712 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.7 p30 -105.46 -21.46 13.21 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.379 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.57 14.93 1.85 Allowed Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.071 -1.062 . . . . 0.0 114.099 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.712 HG23 ' OD1' ' A' ' 37' ' ' ASN . 26.1 t -89.68 143.17 11.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 117.333 0.566 . . . . 0.0 110.854 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -155.08 -177.52 6.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.911 0.386 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.58 -145.08 18.5 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.341 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -149.07 156.39 42.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.343 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -72.76 117.76 14.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.459 . . . . 0.0 111.239 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.3 p -110.26 139.67 45.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.436 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.24 142.84 52.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.861 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.84 158.27 36.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.63 130.3 42.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.494 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 142.22 29.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.823 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.57 156.41 46.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.504 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -127.64 124.03 37.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.105 0.479 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.74 134.19 50.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.207 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -80.87 118.04 22.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.542 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.5 m -91.88 121.32 33.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.341 179.176 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 55' ' ' THR . 6.5 t -70.93 156.7 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.033 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 54' ' ' VAL . 90.6 m -148.17 -72.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.021 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.926 0.393 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.03 123.73 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.608 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.683 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.6 m-85 -110.27 132.27 54.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.419 0.628 . . . . 0.0 112.102 -179.382 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -106.39 126.17 51.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.799 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.26 121.63 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 mt -95.22 117.18 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.679 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' B' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.539 ' O ' ' HB ' ' B' ' 25' ' ' THR . 15.1 t70 . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 121.353 0.597 . . . . 0.0 111.973 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.662 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -47.0 -41.64 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.164 179.471 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -27.59 66.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.29 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.651 ' O ' HG23 ' B' ' 29' ' ' VAL . 37.4 m -61.19 -38.26 85.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.358 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 26' ' ' PHE . . . . . 0.721 ' O ' HG23 ' B' ' 30' ' ' VAL . 31.2 t80 -69.43 -49.55 54.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.742 178.677 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.33 -52.28 59.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.996 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -66.04 -49.01 69.16 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.724 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 67.5 t -62.56 -41.1 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.5 t -70.27 -45.57 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.256 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -63.54 -45.61 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.057 0.456 . . . . 0.0 110.42 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.0 -46.8 85.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.15 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.723 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.0 t80 -67.42 -46.32 73.51 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.525 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 34.6 m-85 -74.68 -33.04 62.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.68 -30.98 61.99 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -61.97 -18.49 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.016 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.712 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.7 p30 -105.47 -21.55 13.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.447 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.59 14.99 1.84 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.056 -1.069 . . . . 0.0 114.032 179.111 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.712 HG23 ' OD1' ' B' ' 37' ' ' ASN . 27.0 t -89.66 143.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 117.372 0.586 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -155.18 -177.67 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.71 -145.0 18.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.257 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -149.06 156.48 42.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.374 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -72.8 117.72 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.209 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 80.0 p -110.29 139.64 45.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.457 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.27 142.77 52.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.85 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.83 158.34 36.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.57 130.39 43.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.551 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.96 142.19 30.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 111.828 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.38 156.3 47.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.488 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -127.58 123.93 36.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.108 0.48 . . . . 0.0 111.391 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -106.67 134.17 50.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.181 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.03 118.08 22.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 111.46 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 94.2 m -91.68 121.37 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.309 179.119 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.419 HG12 ' N ' ' B' ' 55' ' ' THR . 6.6 t -71.19 156.82 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.997 -179.77 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.419 ' N ' HG12 ' B' ' 54' ' ' VAL . 90.9 m -148.27 -72.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.967 179.991 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.861 0.362 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.04 123.74 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.51 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 3' ' ' TYR . . . . . 0.683 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 37.7 m-85 -110.22 132.29 54.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.421 0.629 . . . . 0.0 112.169 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -106.4 126.27 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.746 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.3 121.68 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mt -95.2 117.24 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.655 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' C' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.841 178.875 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 22' ' ' ASP . . . . . 0.542 ' O ' ' HB ' ' C' ' 25' ' ' THR . 15.0 t70 . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 121.355 0.598 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 23' ' ' ALA . . . . . 0.669 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -47.02 -41.77 17.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.253 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.76 -27.6 66.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.242 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.641 ' O ' HG23 ' C' ' 29' ' ' VAL . 37.4 m -61.21 -38.24 85.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.403 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 26' ' ' PHE . . . . . 0.722 ' O ' HG23 ' C' ' 30' ' ' VAL . 30.9 t80 -69.43 -49.58 53.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.701 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -53.32 -52.25 59.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.952 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -66.04 -49.11 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.497 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 29' ' ' VAL . . . . . 0.71 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 66.5 t -62.52 -41.05 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.722 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.2 t -70.28 -45.45 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.246 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -63.61 -45.57 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.993 0.425 . . . . 0.0 110.379 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -63.16 -46.74 85.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.17 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 33' ' ' PHE . . . . . 0.729 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.0 t80 -67.34 -46.28 73.87 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 34' ' ' PHE . . . . . 0.52 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 35.1 m-85 -74.57 -33.15 62.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.64 -31.01 61.96 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.013 0.435 . . . . 0.0 110.831 178.585 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.95 -18.44 60.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.099 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.724 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.6 p30 -105.49 -21.56 13.19 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.474 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.66 14.87 1.85 Allowed Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.057 -1.068 . . . . 0.0 114.101 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.724 HG23 ' OD1' ' C' ' 37' ' ' ASN . 26.6 t -89.64 143.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 117.362 0.581 . . . . 0.0 110.814 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -155.09 -177.62 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.64 -145.01 18.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.332 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -149.07 156.44 42.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -72.78 117.8 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 79.2 p -110.42 139.77 45.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.403 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.37 142.88 52.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.807 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.85 158.31 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.763 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.58 130.4 43.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.549 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 142.19 29.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.835 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -139.45 156.4 46.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.444 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -127.62 123.88 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.065 0.459 . . . . 0.0 111.466 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -106.73 134.14 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.261 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -80.91 117.96 21.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.677 0.275 . . . . 0.0 111.54 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -91.72 121.29 33.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.275 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 54' ' ' VAL . . . . . 0.418 HG12 ' N ' ' C' ' 55' ' ' THR . 6.5 t -70.94 156.88 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 111.065 -179.828 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 55' ' ' THR . . . . . 0.418 ' N ' HG12 ' C' ' 54' ' ' VAL . 90.9 m -148.28 -72.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.984 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.0 123.78 34.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.591 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 3' ' ' TYR . . . . . 0.669 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.9 m-85 -110.33 132.34 54.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.444 0.64 . . . . 0.0 112.211 -179.558 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -106.47 126.28 52.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.768 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.32 121.56 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.1 117.21 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.637 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' D' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.846 178.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 22' ' ' ASP . . . . . 0.54 ' O ' ' HB ' ' D' ' 25' ' ' THR . 15.2 t70 . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 121.36 0.6 . . . . 0.0 111.931 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 23' ' ' ALA . . . . . 0.683 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -47.11 -41.77 17.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.215 179.548 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.73 -27.55 66.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 25' ' ' THR . . . . . 0.629 ' O ' HG23 ' D' ' 29' ' ' VAL . 36.9 m -61.27 -38.18 85.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.412 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 26' ' ' PHE . . . . . 0.708 ' O ' HG23 ' D' ' 30' ' ' VAL . 31.2 t80 -69.47 -49.54 53.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.687 178.662 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.36 -52.21 59.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.031 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -66.09 -49.04 68.94 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 29' ' ' VAL . . . . . 0.729 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 65.7 t -62.54 -41.07 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.708 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.5 t -70.26 -45.61 74.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.259 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -63.47 -45.62 89.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.462 . . . . 0.0 110.47 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -62.97 -46.81 85.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.198 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 33' ' ' PHE . . . . . 0.71 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.0 t80 -67.35 -46.43 73.42 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 34' ' ' PHE . . . . . 0.514 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 35.0 m-85 -74.63 -32.98 62.46 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.74 -31.01 62.15 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.765 178.551 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -61.99 -18.42 60.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.066 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 37' ' ' ASN . . . . . 0.713 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.8 p30 -105.6 -21.33 13.22 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.466 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.45 15.07 1.86 Allowed Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.065 -1.064 . . . . 0.0 114.131 179.094 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.713 HG23 ' OD1' ' D' ' 37' ' ' ASN . 26.8 t -89.78 143.18 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 117.36 0.58 . . . . 0.0 110.809 179.574 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -155.05 -177.59 6.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 111.106 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.67 -145.07 18.48 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.342 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -149.17 156.44 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -72.74 117.76 14.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.247 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 80.2 p -110.37 139.64 45.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.438 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.29 142.73 52.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.806 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.79 158.27 36.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.58 130.29 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.82 142.24 29.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.816 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.59 156.38 46.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -127.56 123.98 37.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.532 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.77 134.08 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.206 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -80.94 118.08 22.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.482 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -91.78 121.32 33.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.275 179.18 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 54' ' ' VAL . . . . . 0.417 HG12 ' N ' ' D' ' 55' ' ' THR . 6.4 t -71.0 156.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.018 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 55' ' ' THR . . . . . 0.417 ' N ' HG12 ' D' ' 54' ' ' VAL . 91.3 m -148.23 -72.19 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.883 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 121.023 0.44 . . . . 1.0 111.434 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.6 123.57 35.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.614 -0.721 . . . . 1.77 110.362 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.537 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 36.3 m-85 -108.38 131.02 55.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.377 0.608 . . . . 0.28000000000000003 111.553 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -105.57 125.07 50.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.921 -1.036 . . . . 1.6200000000000001 110.509 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.556 HG12 HD12 ' A' ' 7' ' ' LEU . 17.0 t -142.43 123.94 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.015 0.436 . . . . 0.34000000000000002 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' B' ' 1' ' ' MET . 16.8 mt -92.94 117.42 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.851 -0.613 . . . . 0.48999999999999999 110.547 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.771 HD22 ' HB2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -122.88 112.47 17.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.599 -0.889 . . . . 0.93999999999999995 108.599 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 10' ' ' LYS . 38.0 t30 -159.26 95.25 1.24 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.06 -0.348 . . . . 2.4900000000000002 110.06 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.29 65.66 0.03 OUTLIER Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.405 -0.903 . . . . 2.6899999999999999 112.76 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 8' ' ' ASN . 12.8 tttt -75.4 154.88 36.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.974 0.416 . . . . 5.8600000000000003 110.816 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 t -141.54 138.44 32.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.995 -0.548 . . . . 4.7800000000000002 110.672 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.42 59.98 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 6.8799999999999999 110.955 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.04 -78.02 0.11 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.964 0.887 . . . . 8.8900000000000006 110.862 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.69 -43.18 0.24 Allowed Glycine 0 C--N 1.298 -1.552 0 CA-C-N 114.033 -1.439 . . . . 6.96 112.814 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -95.08 89.37 5.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 7.8200000000000003 111.217 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 17' ' ' THR . 8.9 t -73.38 -44.86 57.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 7.21 110.711 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 16' ' ' THR . 0.2 OUTLIER 68.47 -68.84 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.033 -0.531 . . . . 6.0199999999999996 111.025 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.4 p -157.19 -175.19 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 5.1699999999999999 110.917 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -135.78 -168.69 2.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 6.2000000000000002 110.586 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' O ' HG21 ' A' ' 25' ' ' THR . . . -165.64 -54.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.283 0.563 . . . . 1.72 109.996 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.677 HG12 ' CE1' ' B' ' 34' ' ' PHE . 12.7 m -82.53 61.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.205 -0.907 . . . . 1.1799999999999999 110.774 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' A' ' 25' ' ' THR . 9.4 t0 -97.99 145.54 26.39 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.325 0.583 . . . . 1.6499999999999999 111.067 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.544 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.21 -46.67 65.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.262 -0.881 . . . . 0.31 110.805 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.18 -32.11 73.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.948 -0.569 . . . . 0.34000000000000002 110.729 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.4 m -64.44 -40.65 96.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.868 -0.606 . . . . 0.38 110.913 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.771 ' HB2' HD22 ' A' ' 7' ' ' LEU . 10.8 t80 -65.59 -50.99 63.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.932 -0.576 . . . . 0.37 110.626 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 62.8 mt-10 -54.75 -49.83 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 2.0499999999999998 111.033 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -66.01 -53.17 42.01 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.32 0.489 . . . . 1.79 112.32 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 25' ' ' THR . 63.8 t -64.08 -45.03 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 112.182 0.438 . . . . 0.25 112.182 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 26' ' ' PHE . 44.4 t -68.59 -41.21 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.26000000000000001 111.247 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -70.69 -46.49 63.04 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.76 -0.376 . . . . 1.3899999999999999 110.581 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -63.79 -42.36 97.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.527 -0.306 . . . . 1.8200000000000001 111.122 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 4.7 t80 -64.23 -46.57 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.531 0.567 . . . . 0.29999999999999999 112.531 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.717 ' HZ ' HD21 ' B' ' 7' ' ' LEU . 36.4 m-85 -78.52 -29.96 46.8 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.055 0.761 . . . . 0.56999999999999995 113.055 -178.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -55.34 -30.7 60.77 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.407 0.622 . . . . 0.32000000000000001 110.752 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -59.48 -17.44 31.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.927 -1.033 . . . . 1.1899999999999999 112.022 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' A' ' 39' ' ' VAL . 13.2 p30 -111.04 -2.39 15.92 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.973 0.731 . . . . 1.6299999999999999 112.973 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.32 51.56 1.13 Allowed Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.003 -1.094 . . . . 0.26000000000000001 113.756 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.515 HG23 ' OD1' ' A' ' 37' ' ' ASN . 57.0 t -126.31 139.43 51.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.535 -0.913 . . . . 0.26000000000000001 108.535 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -150.94 -174.47 4.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.406 0.622 . . . . 1.3100000000000001 111.525 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.05 -145.61 18.2 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.068 -0.969 . . . . 0.23999999999999999 112.357 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -148.56 155.16 40.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.095 0.474 . . . . 1.5800000000000001 111.29 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 94.3 m95 -74.05 114.19 12.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.787 -0.642 . . . . 0.33000000000000002 110.788 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.6 p -106.93 143.13 35.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.872 -0.604 . . . . 0.19 110.707 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.38 140.57 50.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.557 -0.747 . . . . 0.27000000000000002 110.551 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.05 160.93 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 1.1399999999999999 110.589 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.29 131.75 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 2.2599999999999998 111.299 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.49 140.34 34.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.186 -0.461 . . . . 0.25 111.473 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.505 HG23 ' HB3' ' D' ' 2' ' ' GLN . 4.5 m -137.26 150.04 47.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.89 -0.596 . . . . 0.28000000000000003 110.817 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -117.85 137.95 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.986 0.422 . . . . 0.84999999999999998 110.581 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.2 m -125.95 133.74 51.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.26000000000000001 110.387 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -80.67 121.94 26.48 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.818 0.342 . . . . 0.32000000000000001 111.616 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.6 m -99.56 123.33 43.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.196 -0.457 . . . . 0.20000000000000001 110.231 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 55' ' ' THR . 19.5 t -69.52 156.39 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.009 0.433 . . . . 0.28000000000000003 110.816 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.446 ' N ' HG12 ' A' ' 54' ' ' VAL . 36.4 m -152.49 -71.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.851 -0.613 . . . . 0.34000000000000002 111.114 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.245 -0.883 . . . . 4.3700000000000001 110.915 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.457 ' N ' ' HB2' ' A' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 121.135 0.493 . . . . 1.0 111.303 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.82 123.71 35.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.518 -0.765 . . . . 1.77 110.358 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.544 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 36.2 m-85 -108.44 131.17 55.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.442 0.639 . . . . 0.28000000000000003 111.575 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -105.79 124.93 50.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.926 -1.034 . . . . 1.6200000000000001 110.642 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.585 HG12 HD12 ' B' ' 7' ' ' LEU . 16.5 t -142.29 123.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.054 0.454 . . . . 0.34000000000000002 111.334 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 1' ' ' MET . 17.4 mt -92.81 117.49 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.594 . . . . 0.48999999999999999 110.594 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.748 HD22 ' HB2' ' B' ' 26' ' ' PHE . 0.5 OUTLIER -125.28 113.32 17.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.71 -0.848 . . . . 0.93999999999999995 108.71 179.255 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.413 ' HB2' ' N ' ' A' ' 1' ' ' MET . 46.1 t30 -149.96 117.18 6.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.238 0.542 . . . . 2.4900000000000002 111.948 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.27 40.54 0.12 Allowed Glycine 0 CA--C 1.523 0.562 0 CA-C-N 115.119 -0.946 . . . . 2.6099999999999999 115.009 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -92.34 109.9 21.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.969 -0.752 . . . . 7.0199999999999996 108.969 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.436 ' O ' ' N ' ' B' ' 13' ' ' LYS . 1.0 OUTLIER -109.72 -43.95 3.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.92 0.867 . . . . 5.0999999999999996 111.875 -178.537 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mt 59.87 -76.2 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 113.707 -1.588 . . . . 7.8399999999999999 111.119 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 11' ' ' THR . 0.0 OUTLIER -81.27 157.48 25.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.505 . . . . 9.6600000000000001 110.729 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.35 179.37 32.57 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.532 -0.842 . . . . 6.7000000000000002 112.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.727 ' OE2' HG23 ' B' ' 17' ' ' THR . 0.0 OUTLIER -115.29 177.93 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 8.1699999999999999 110.862 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.1 t -73.05 131.77 42.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 7.1600000000000001 110.823 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.727 HG23 ' OE2' ' B' ' 15' ' ' GLU . 0.7 OUTLIER -156.69 -73.9 0.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 5.8399999999999999 110.61 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 45.0 p -158.18 -179.9 8.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 5.4100000000000001 110.963 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -153.3 178.88 9.29 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.416 -0.811 . . . . 6.4800000000000004 109.974 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.648 ' O ' HG21 ' B' ' 25' ' ' THR . . . -158.87 -41.35 0.06 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.195 -0.457 . . . . 2.1899999999999999 111.496 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.546 HG12 ' CE1' ' A' ' 34' ' ' PHE . 33.9 m -88.32 54.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.018 0.748 . . . . 1.1799999999999999 113.018 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' B' ' 25' ' ' THR . 10.8 t0 -98.38 144.6 27.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.18 0.514 . . . . 1.6499999999999999 109.637 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.537 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.97 -46.54 64.86 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.604 -0.725 . . . . 0.29999999999999999 111.002 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -31.15 71.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.33000000000000002 110.772 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.648 HG21 ' O ' ' B' ' 20' ' ' ALA . 74.7 m -64.34 -40.67 96.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.964 -0.562 . . . . 0.38 110.85 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.748 ' HB2' HD22 ' B' ' 7' ' ' LEU . 10.4 t80 -65.92 -50.42 64.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.759 -0.655 . . . . 0.37 110.691 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.433 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 62.9 mt-10 -55.25 -49.38 72.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 2.04 110.915 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.24 -52.98 42.42 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.345 0.498 . . . . 1.79 112.345 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 25' ' ' THR . 61.7 t -64.15 -45.24 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 112.076 0.398 . . . . 0.25 112.076 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 26' ' ' PHE . 42.8 t -68.38 -41.54 83.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.05 -0.523 . . . . 0.26000000000000001 111.349 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -70.62 -46.26 63.68 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.802 -0.359 . . . . 1.3799999999999999 110.469 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -64.14 -42.89 96.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 1.8200000000000001 111.304 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 4.6 t80 -63.47 -46.88 84.13 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.657 0.614 . . . . 0.29999999999999999 112.657 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.713 ' HZ ' HD21 ' A' ' 7' ' ' LEU . 34.8 m-85 -77.9 -31.37 51.16 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.968 0.729 . . . . 0.56999999999999995 112.968 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -53.57 -32.54 51.29 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.191 0.52 . . . . 0.32000000000000001 110.781 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -58.21 -17.24 17.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 1.1899999999999999 112.178 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.581 ' OD1' HG23 ' B' ' 39' ' ' VAL . 14.1 p30 -110.18 -3.35 16.38 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.849 0.685 . . . . 1.6200000000000001 112.849 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.92 49.72 1.23 Allowed Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.198 -1.001 . . . . 0.26000000000000001 113.464 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.581 HG23 ' OD1' ' B' ' 37' ' ' ASN . 59.7 t -125.17 137.54 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 108.672 -0.862 . . . . 0.26000000000000001 108.672 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -149.91 -174.97 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.302 0.572 . . . . 1.3 111.781 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.55 -145.49 16.94 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.132 -0.94 . . . . 0.23000000000000001 112.171 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -148.58 154.74 40.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.847 0.356 . . . . 1.5700000000000001 111.132 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.433 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 94.0 m95 -73.8 115.39 13.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.33000000000000002 110.845 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -108.06 142.94 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.848 -0.615 . . . . 0.19 110.506 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.15 140.93 50.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.464 -0.789 . . . . 0.27000000000000002 110.697 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.36 160.9 31.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 1.1399999999999999 110.585 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.19 131.93 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.36 . . . . 2.2599999999999998 111.161 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.67 140.85 34.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.46 . . . . 0.26000000000000001 111.416 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.473 HG23 ' HB3' ' C' ' 2' ' ' GLN . 4.2 m -137.71 150.06 47.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 0.28999999999999998 110.806 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -117.86 138.17 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.034 0.445 . . . . 0.84999999999999998 110.614 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 21.7 m -126.18 133.81 51.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.839 -0.619 . . . . 0.26000000000000001 110.363 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -80.79 122.07 26.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.827 0.346 . . . . 0.32000000000000001 111.661 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 41.7 m -99.61 123.52 43.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.213 -0.449 . . . . 0.20999999999999999 110.198 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.449 HG12 ' N ' ' B' ' 55' ' ' THR . 19.5 t -69.61 156.68 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.28000000000000003 110.873 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.449 ' N ' HG12 ' B' ' 54' ' ' VAL . 36.7 m -152.78 -71.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.933 -0.576 . . . . 0.34000000000000002 111.105 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.292 -0.861 . . . . 4.3600000000000003 110.935 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.543 ' N ' ' HB2' ' D' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.053 0.454 . . . . 1.0 111.089 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.473 ' HB3' HG23 ' B' ' 49' ' ' THR . 4.8 tt0 -91.36 124.24 35.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.699 -0.682 . . . . 1.77 110.321 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -109.22 131.14 55.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.465 0.65 . . . . 0.28000000000000003 111.573 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -105.69 124.97 50.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.754 -1.112 . . . . 1.6200000000000001 110.568 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.583 HG12 HD12 ' C' ' 7' ' ' LEU . 17.9 t -142.29 124.19 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.0 0.429 . . . . 0.34000000000000002 111.268 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' D' ' 1' ' ' MET . 16.2 mt -92.98 117.59 36.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.873 -0.603 . . . . 0.48999999999999999 110.763 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.747 HD22 ' HB2' ' C' ' 26' ' ' PHE . 0.6 OUTLIER -123.76 112.28 17.15 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.607 -0.886 . . . . 0.93999999999999995 108.607 179.053 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' C' ' 10' ' ' LYS . 41.9 t30 -157.68 104.72 1.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.125 -0.324 . . . . 2.4900000000000002 110.125 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.44 69.4 0.01 OUTLIER Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.804 -0.712 . . . . 2.2599999999999998 113.762 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' C' ' 8' ' ' ASN . 0.0 OUTLIER -76.64 117.13 17.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.82 0.31 . . . . 5.5899999999999999 110.267 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 17.2 p -140.49 78.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 5.5099999999999998 110.901 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 mt -70.25 -67.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 6.5199999999999996 111.026 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -135.75 126.69 27.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 8.5299999999999994 110.86 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.99 -167.64 39.33 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.799 -0.715 . . . . 6.8200000000000003 112.27 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.36 175.29 0.78 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.899 0.38 . . . . 8.1699999999999999 110.98 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.2 t -98.3 36.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 7.6900000000000004 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p -76.74 176.96 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 6.7400000000000002 111.046 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 19.4 p -76.86 -168.17 0.99 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.301 -0.409 . . . . 5.1600000000000001 111.361 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' C' ' 20' ' ' ALA . 18.3 pt-20 -131.54 -49.52 0.98 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.977 0.894 . . . . 6.3700000000000001 112.133 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.58 ' O ' HG21 ' C' ' 25' ' ' THR . . . 75.32 -47.04 0.59 Allowed 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 113.914 -1.494 . . . . 1.96 112.96 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.53 HG12 ' CE1' ' D' ' 34' ' ' PHE . 16.3 m -76.52 58.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.968 0.413 . . . . 1.1799999999999999 111.03 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.402 ' O ' ' HB ' ' C' ' 25' ' ' THR . 9.9 t0 -98.03 144.94 27.01 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.257 0.551 . . . . 1.6499999999999999 110.522 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -46.76 63.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.429 -0.805 . . . . 0.29999999999999999 110.809 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.42 -31.58 72.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.963 -0.562 . . . . 0.33000000000000002 110.775 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.58 HG21 ' O ' ' C' ' 20' ' ' ALA . 96.3 m -64.44 -40.67 96.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 0.38 110.824 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.747 ' HB2' HD22 ' C' ' 7' ' ' LEU . 10.7 t80 -65.62 -50.88 63.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.37 110.68 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.436 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 62.9 mt-10 -54.91 -49.39 71.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 2.0499999999999998 110.995 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.47 -52.75 42.93 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.298 0.481 . . . . 1.79 112.298 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.542 HG23 ' O ' ' C' ' 25' ' ' THR . 61.8 t -64.3 -45.4 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.062 0.393 . . . . 0.25 112.062 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.671 HG23 ' O ' ' C' ' 26' ' ' PHE . 43.6 t -68.32 -40.76 82.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.033 -0.531 . . . . 0.26000000000000001 111.338 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -71.24 -46.14 61.69 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.789 -0.364 . . . . 1.3899999999999999 110.483 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -64.54 -42.49 95.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 1.8200000000000001 111.378 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.521 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 4.5 t80 -63.68 -46.91 83.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.668 0.618 . . . . 0.29999999999999999 112.668 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.649 ' HZ ' HD21 ' D' ' 7' ' ' LEU . 32.3 m-85 -78.17 -30.92 49.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.865 0.691 . . . . 0.56999999999999995 112.865 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -53.78 -32.55 52.86 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.217 0.532 . . . . 0.32000000000000001 110.842 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -58.31 -17.24 18.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.46 -0.791 . . . . 1.1799999999999999 112.123 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.587 ' OD1' HG23 ' C' ' 39' ' ' VAL . 14.2 p30 -110.16 -2.87 16.66 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.833 0.679 . . . . 1.6200000000000001 112.833 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.49 49.34 1.31 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.213 -0.994 . . . . 0.26000000000000001 113.566 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.587 HG23 ' OD1' ' C' ' 37' ' ' ASN . 61.9 t -124.4 137.76 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 108.664 -0.865 . . . . 0.26000000000000001 108.664 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -150.1 -175.11 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.323 0.583 . . . . 1.3 111.74 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.34 -145.33 17.01 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.107 -0.951 . . . . 0.23999999999999999 112.095 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -148.81 154.81 40.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.393 . . . . 1.5700000000000001 111.199 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' TRP . . . . . 0.436 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 94.4 m95 -73.55 115.21 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.861 -0.609 . . . . 0.33000000000000002 110.856 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -108.12 142.64 38.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.86 -0.609 . . . . 0.19 110.524 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.99 140.89 50.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.568 -0.742 . . . . 0.27000000000000002 110.681 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.3 160.77 32.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 1.1399999999999999 110.536 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.19 131.62 46.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 2.2599999999999998 111.222 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.38 140.48 33.57 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.206 -0.452 . . . . 0.25 111.519 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -137.48 149.99 47.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.915 -0.584 . . . . 0.28000000000000003 110.841 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -117.56 138.23 52.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.83999999999999997 110.607 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 21.4 m -126.25 133.48 51.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.858 -0.61 . . . . 0.26000000000000001 110.417 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -80.58 121.85 26.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.845 0.355 . . . . 0.31 111.621 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 42.6 m -99.36 123.88 44.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.148 -0.478 . . . . 0.20000000000000001 110.194 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.459 HG12 ' N ' ' C' ' 55' ' ' THR . 19.5 t -70.09 156.27 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.021 0.439 . . . . 0.28000000000000003 110.837 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.459 ' N ' HG12 ' C' ' 54' ' ' VAL . 40.8 m -151.99 -72.8 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.781 -0.645 . . . . 0.34000000000000002 111.12 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.158 -0.925 . . . . 4.3700000000000001 110.901 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' C' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.916 0.389 . . . . 1.0 111.339 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 2' ' ' GLN . . . . . 0.505 ' HB3' HG23 ' A' ' 49' ' ' THR . 4.6 tt0 -91.58 124.38 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.857 -0.61 . . . . 1.77 110.347 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.41 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.6 m-85 -109.11 131.03 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.534 0.683 . . . . 0.28000000000000003 111.546 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -106.0 124.76 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.614 -1.175 . . . . 1.6200000000000001 110.393 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.574 HG12 HD12 ' D' ' 7' ' ' LEU . 19.4 t -142.24 123.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.019 0.437 . . . . 0.34000000000000002 111.022 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' C' ' 1' ' ' MET . 15.6 mt -92.96 117.45 36.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.819 -0.628 . . . . 0.48999999999999999 110.618 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.73 HD22 ' HB2' ' D' ' 26' ' ' PHE . 0.5 OUTLIER -123.49 111.75 16.68 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.238 -1.023 . . . . 0.93999999999999995 108.238 179.166 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.669 ' O ' ' N ' ' D' ' 10' ' ' LYS . 53.0 t30 -158.97 71.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 119.148 -0.453 . . . . 2.4900000000000002 111.864 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 9' ' ' GLY . . . . . 0.656 ' C ' ' O ' ' D' ' 8' ' ' ASN . . . -5.52 72.95 0.0 OUTLIER Glycine 0 N--CA 1.466 0.659 0 C-N-CA 120.554 -0.832 . . . . 2.9399999999999999 112.182 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' D' ' 8' ' ' ASN . 43.7 mmtt -44.38 109.97 0.19 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.093 0.473 . . . . 7.0700000000000003 112.165 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.47 149.46 50.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.616 -0.72 . . . . 5.9400000000000004 110.671 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -176.39 151.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.962 -0.563 . . . . 8.3000000000000007 110.357 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 133.87 54.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 10.039999999999999 110.513 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' D' ' 15' ' ' GLU . . . 153.48 -28.95 0.77 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.476 -0.869 . . . . 6.7599999999999998 112.584 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLU . . . . . 0.577 ' O ' ' O ' ' D' ' 16' ' ' THR . 0.1 OUTLIER 85.85 -33.11 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.507 0.67 . . . . 8.0899999999999999 111.851 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 16' ' ' THR . . . . . 0.615 HG22 ' H ' ' D' ' 17' ' ' THR . 10.1 m 37.84 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 113.945 -1.48 . . . . 6.6699999999999999 111.238 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.615 ' H ' HG22 ' D' ' 16' ' ' THR . 0.8 OUTLIER -111.66 -74.35 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.752 -0.593 . . . . 5.7699999999999996 111.058 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 18.4 p -119.83 169.53 10.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.017 -0.538 . . . . 4.9800000000000004 110.639 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -103.16 -173.8 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.002 -0.545 . . . . 5.71 110.19 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ALA . . . . . 0.496 ' O ' HG21 ' D' ' 25' ' ' THR . . . -149.12 -51.73 0.16 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.349 0.595 . . . . 2.04 110.113 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.562 HG12 ' CE1' ' C' ' 34' ' ' PHE . 16.1 m -89.01 63.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.972 -1.013 . . . . 1.1899999999999999 111.603 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' D' ' 25' ' ' THR . 10.3 t0 -99.18 145.51 27.13 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.262 0.553 . . . . 1.6499999999999999 110.761 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.7 -47.07 64.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.475 -0.784 . . . . 0.29999999999999999 110.876 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.02 -31.72 72.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.33000000000000002 110.697 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.54 ' O ' HG23 ' D' ' 29' ' ' VAL . 99.8 m -64.02 -40.96 97.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.013 -0.54 . . . . 0.38 110.887 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.73 ' HB2' HD22 ' D' ' 7' ' ' LEU . 10.4 t80 -65.93 -50.71 63.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.37 110.615 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 27' ' ' GLU . . . . . 0.435 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 62.7 mt-10 -55.03 -49.45 71.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.389 -0.369 . . . . 2.0499999999999998 110.955 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.33 -53.03 41.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.338 0.496 . . . . 1.79 112.338 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.54 HG23 ' O ' ' D' ' 25' ' ' THR . 62.1 t -64.17 -45.47 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 N-CA-C 112.095 0.406 . . . . 0.25 112.095 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.672 HG23 ' O ' ' D' ' 26' ' ' PHE . 43.4 t -68.11 -41.2 84.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.021 -0.536 . . . . 0.26000000000000001 111.402 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -71.02 -45.91 63.11 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.802 -0.359 . . . . 1.3899999999999999 110.496 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -64.49 -42.89 95.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.762 0.315 . . . . 1.8200000000000001 111.344 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.522 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 4.4 t80 -63.54 -47.09 83.04 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.641 0.608 . . . . 0.29999999999999999 112.641 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.652 ' HZ ' HD21 ' C' ' 7' ' ' LEU . 32.8 m-85 -77.76 -30.56 51.58 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.08 0.77 . . . . 0.56999999999999995 113.08 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -54.32 -32.39 56.46 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.212 0.53 . . . . 0.32000000000000001 110.783 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -58.41 -17.2 18.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 1.1799999999999999 112.084 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.578 ' OD1' HG23 ' D' ' 39' ' ' VAL . 14.2 p30 -110.2 -2.71 16.7 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.839 0.681 . . . . 1.6299999999999999 112.839 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.24 48.5 1.43 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.168 -1.015 . . . . 0.26000000000000001 113.708 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.578 HG23 ' OD1' ' D' ' 37' ' ' ASN . 61.7 t -123.31 138.38 53.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 108.582 -0.896 . . . . 0.26000000000000001 108.582 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -150.57 -174.99 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.201 -0.6 . . . . 1.3 111.698 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.95 -145.61 17.28 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.165 -0.925 . . . . 0.23999999999999999 112.239 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.53 154.27 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 1.5800000000000001 111.212 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 94.0 m95 -73.2 115.36 12.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.894 -0.594 . . . . 0.33000000000000002 110.919 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -108.29 142.48 38.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.819 -0.628 . . . . 0.19 110.476 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.73 141.04 51.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.566 -0.743 . . . . 0.27000000000000002 110.717 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.35 160.74 32.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.1399999999999999 110.534 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.25 131.14 45.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 2.2599999999999998 111.315 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.09 139.97 33.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.25 -0.432 . . . . 0.26000000000000001 111.623 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -136.97 150.05 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.28000000000000003 110.811 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -117.65 138.29 52.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.0 0.429 . . . . 0.84999999999999998 110.585 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 22.2 m -126.44 133.29 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.863 -0.608 . . . . 0.26000000000000001 110.456 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -80.19 121.98 26.26 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.794 0.33 . . . . 0.32000000000000001 111.648 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 46.4 m -99.59 123.82 44.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 0.20999999999999999 110.224 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.464 HG12 ' N ' ' D' ' 55' ' ' THR . 19.6 t -69.83 156.75 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.28000000000000003 110.909 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.464 ' N ' HG12 ' D' ' 54' ' ' VAL . 35.3 m -152.77 -71.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.34000000000000002 111.086 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.202 -0.904 . . . . 4.3700000000000001 110.939 -179.842 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.934 0.397 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -89.58 124.24 34.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.481 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 35.6 m-85 -108.8 128.58 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.24 0.543 . . . . 0.0 111.925 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -106.74 125.31 50.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.41 122.04 9.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' B' ' 1' ' ' MET . 21.1 mt -92.97 117.27 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.433 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.2 OUTLIER -112.32 124.17 51.88 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.113 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -152.11 -71.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.932 0.396 . . . . 0.0 111.0 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.77 -97.79 1.66 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.492 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.9 tttt 62.44 86.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.4 p -58.82 169.84 0.92 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.08 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 mt -142.21 -62.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -118.44 106.81 13.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.15 -142.66 15.85 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.669 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -160.09 168.49 25.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -143.96 -49.29 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.723 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.6 -68.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.382 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 p -72.44 112.38 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 111.248 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 61.44 99.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.213 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.82 31.38 3.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG13 ' HG ' ' A' ' 7' ' ' LEU . 12.6 t 54.77 65.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 25' ' ' THR . 4.7 m-20 -102.49 145.84 28.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.788 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.491 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.94 -42.4 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.955 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -30.25 69.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.4 m -61.73 -38.12 86.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.393 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 30' ' ' VAL . 25.3 t80 -68.26 -52.69 31.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.797 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 20.0 mt-10 -51.73 -54.41 28.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.909 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -65.75 -51.41 59.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.589 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 59.3 t -63.01 -41.3 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 26' ' ' PHE . 59.0 t -70.19 -45.1 77.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -64.06 -44.98 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.975 0.417 . . . . 0.0 110.566 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.32 -45.75 89.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.025 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.3 t80 -67.29 -46.9 72.21 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.633 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 38.6 m-85 -74.89 -33.27 62.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.77 -30.94 62.1 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.975 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -61.37 -18.09 57.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.093 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.672 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.4 p30 -105.44 -19.7 13.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.29 15.12 2.08 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.052 -1.071 . . . . 0.0 114.046 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.672 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.5 t -89.3 143.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 117.306 0.553 . . . . 0.0 110.872 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -156.28 -177.78 6.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.871 0.367 . . . . 0.0 111.244 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.08 -145.02 18.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.262 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -148.74 156.23 42.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 96.0 m95 -72.96 119.47 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.387 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -113.97 141.5 47.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.547 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.76 143.78 51.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.881 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.65 160.47 32.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -65.85 127.84 33.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.85 142.66 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.107 0.48 . . . . 0.0 111.977 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 m -137.49 156.27 48.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.467 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -127.84 122.26 32.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.015 0.436 . . . . 0.0 111.253 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -107.45 134.1 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.568 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -81.4 116.03 21.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.239 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -89.97 124.43 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.671 0.272 . . . . 0.0 110.544 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.44 155.92 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.103 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -148.46 -67.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.98 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.404 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.886 0.374 . . . . 0.0 111.196 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -89.58 124.2 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.712 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.491 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 35.7 m-85 -108.76 128.67 55.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.255 0.55 . . . . 0.0 111.958 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -106.79 125.19 50.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.33 122.08 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 1' ' ' MET . 21.4 mt -92.98 117.26 35.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.439 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.633 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -112.39 124.31 52.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.1 179.037 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -151.98 -61.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.058 0.456 . . . . 0.0 110.434 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.15 93.7 2.32 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.601 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -65.71 163.44 16.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.7 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -112.59 166.52 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 mt 62.89 146.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 41.0 mttm 59.24 96.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.89 -156.73 27.15 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.689 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -92.65 144.0 25.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.747 0.308 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 30.8 m -93.05 79.57 4.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 40.5 p -133.66 179.42 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 70.5 p -91.3 -38.84 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.92 89.41 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.14 79.76 1.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.475 HG13 ' HG ' ' B' ' 7' ' ' LEU . 11.8 t 55.93 65.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.307 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.485 ' O ' ' HB ' ' B' ' 25' ' ' THR . 4.7 m-20 -102.55 145.92 28.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 111.689 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.481 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.98 -42.42 60.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.014 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.12 -30.37 69.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.59 ' O ' HG23 ' B' ' 29' ' ' VAL . 50.6 m -61.67 -38.08 86.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.655 ' O ' HG23 ' B' ' 30' ' ' VAL . 25.6 t80 -68.29 -52.62 31.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.421 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 21.6 mt-10 -51.86 -54.33 30.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.885 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -65.66 -51.51 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 25' ' ' THR . 58.8 t -62.96 -41.3 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.2 t -70.2 -45.07 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -64.09 -45.01 90.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 110.52 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -63.25 -45.73 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.13 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.589 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.3 t80 -67.21 -46.93 72.38 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.621 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 38.3 m-85 -74.88 -33.34 62.05 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.71 -30.89 61.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.967 0.413 . . . . 0.0 110.994 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.38 -18.08 57.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.093 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.68 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.5 p30 -105.58 -19.41 13.78 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.93 15.34 2.13 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.068 -1.063 . . . . 0.0 114.023 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.68 HG23 ' OD1' ' B' ' 37' ' ' ASN . 23.1 t -89.42 143.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 117.279 0.54 . . . . 0.0 110.852 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -156.49 -178.3 7.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.61 -144.95 18.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.243 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -148.73 156.15 41.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.421 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 96.0 m95 -73.02 119.3 17.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.374 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.3 p -113.77 141.43 47.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.544 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.66 143.72 51.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.854 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.55 160.49 32.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -65.84 127.57 32.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.73 142.86 27.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.962 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 24.0 m -137.76 156.37 48.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.547 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -127.75 122.27 32.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.005 0.431 . . . . 0.0 111.33 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -107.37 134.09 50.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.559 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -81.43 116.11 21.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.24 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.7 m -89.94 124.6 34.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.696 0.284 . . . . 0.0 110.594 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.53 155.95 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 111.061 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.7 m -148.59 -67.72 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.007 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -89.31 124.18 34.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.664 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.475 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 35.6 m-85 -108.8 128.66 55.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.298 0.571 . . . . 0.0 111.959 -179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -106.8 125.29 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.019 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.33 122.04 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 21.5 mt -92.95 117.25 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.405 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.647 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.2 OUTLIER -112.3 124.12 51.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.019 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -152.05 -70.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.437 . . . . 0.0 110.95 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.83 -69.27 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 60.63 163.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.033 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.18 107.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 18.4 mt -123.71 88.25 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -168.93 147.69 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.87 -47.72 1.01 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.575 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 61.42 45.08 8.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.742 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -108.47 -65.95 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 45.4 m -147.26 -65.73 0.27 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.021 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 35.6 p 53.11 73.16 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.368 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -144.34 110.97 5.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.836 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.61 ' O ' HG21 ' C' ' 25' ' ' THR . . . -169.07 -62.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.366 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.464 HG13 ' HG ' ' C' ' 7' ' ' LEU . 4.4 t -77.0 59.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.968 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' C' ' 25' ' ' THR . 4.1 m-20 -102.49 146.38 28.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.088 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.456 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -50.71 -42.16 56.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.915 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.45 -30.25 69.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.128 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.61 HG21 ' O ' ' C' ' 20' ' ' ALA . 50.7 m -61.76 -38.2 87.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.332 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.67 ' O ' HG23 ' C' ' 30' ' ' VAL . 25.1 t80 -68.18 -52.67 31.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.759 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.421 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 20.7 mt-10 -51.8 -54.37 29.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.907 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -65.71 -51.42 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.598 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 59.6 t -63.07 -41.36 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.67 HG23 ' O ' ' C' ' 26' ' ' PHE . 59.6 t -70.26 -44.85 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -64.16 -45.02 90.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.002 0.43 . . . . 0.0 110.573 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.33 -45.8 89.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.008 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.594 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.3 t80 -67.23 -46.96 72.22 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.649 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 38.4 m-85 -74.87 -33.21 62.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.92 -30.89 62.33 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.875 0.369 . . . . 0.0 110.964 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.4 -18.06 57.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.04 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.668 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.5 p30 -105.59 -19.7 13.69 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.39 15.08 2.07 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.1 -1.048 . . . . 0.0 114.056 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.668 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.2 t -89.4 143.26 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.309 0.554 . . . . 0.0 110.893 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -156.42 -178.38 7.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 111.232 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.69 -145.0 18.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.213 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -148.67 156.11 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.001 0.429 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' TRP . . . . . 0.421 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 96.0 m95 -72.91 119.57 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.369 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -113.99 141.44 47.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.583 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.78 143.73 51.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.848 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.6 160.42 32.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.89 127.87 33.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.12 142.99 28.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.096 0.474 . . . . 0.0 112.121 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 22.4 m -137.67 156.31 48.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.502 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -127.74 122.25 32.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.414 . . . . 0.0 111.188 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -107.38 134.11 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.647 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.42 116.05 21.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.18 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -89.93 124.6 34.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.701 0.286 . . . . 0.0 110.498 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.47 156.04 7.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 111.025 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -148.54 -67.78 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.976 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -89.47 124.07 34.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.693 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.456 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 35.8 m-85 -108.69 128.67 55.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.179 0.514 . . . . 0.0 111.951 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -106.77 125.27 50.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.38 122.06 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 21.0 mt -92.96 117.22 35.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.431 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.2 OUTLIER -112.18 124.11 51.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.055 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -152.34 -66.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.2 -108.92 3.74 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 51.9 mttt 63.54 149.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.983 0.421 . . . . 0.0 111.329 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 63.58 104.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -107.85 -68.69 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mttt 60.65 96.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.02 -112.22 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.556 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -117.43 172.73 7.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.065 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -79.68 148.24 31.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.5 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 18.9 p -137.29 179.63 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 111.18 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 76.2 p -105.13 -34.69 7.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.289 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -129.91 133.5 46.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.963 0.411 . . . . 0.0 111.469 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.36 56.99 1.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.607 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.485 HG13 ' HG ' ' D' ' 7' ' ' LEU . 12.5 t 53.83 64.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.627 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' D' ' 25' ' ' THR . 4.7 m-20 -102.41 145.76 29.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.694 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.475 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -50.86 -42.28 58.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.018 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.34 69.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.085 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.598 ' O ' HG23 ' D' ' 29' ' ' VAL . 51.2 m -61.74 -38.22 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.32 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.672 ' O ' HG23 ' D' ' 30' ' ' VAL . 24.8 t80 -68.14 -52.81 30.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.753 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' GLU . . . . . 0.422 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 20.1 mt-10 -51.66 -54.41 28.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.906 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -65.71 -51.49 58.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.598 HG23 ' O ' ' D' ' 25' ' ' THR . 59.0 t -62.97 -41.32 92.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.672 HG23 ' O ' ' D' ' 26' ' ' PHE . 59.1 t -70.18 -45.1 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -64.14 -44.98 90.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.485 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.39 -45.7 89.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.031 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.3 t80 -67.16 -47.03 72.23 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.647 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 38.4 m-85 -74.87 -33.23 62.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.88 -30.85 62.2 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.958 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.43 -18.04 57.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.025 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.67 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.5 p30 -105.5 -19.75 13.69 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.3 15.19 2.07 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.052 -1.07 . . . . 0.0 114.047 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.67 HG23 ' OD1' ' D' ' 37' ' ' ASN . 22.3 t -89.42 143.24 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.297 0.549 . . . . 0.0 110.858 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -156.48 -178.2 7.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.005 0.431 . . . . 0.0 111.161 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.56 -144.99 18.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.221 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -148.64 156.07 41.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 43' ' ' TRP . . . . . 0.422 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 96.0 m95 -72.95 119.39 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.378 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 68.1 p -113.87 141.45 47.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.572 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -70.75 143.74 51.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.87 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.61 160.44 32.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -65.9 127.97 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.621 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.01 142.56 29.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.134 0.492 . . . . 0.0 112.036 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -137.46 156.34 48.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.508 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -127.81 122.2 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 111.241 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -107.32 134.12 50.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.38 115.94 20.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.212 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -89.87 124.5 34.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.716 0.293 . . . . 0.0 110.484 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.401 HG12 ' N ' ' D' ' 55' ' ' THR . 5.1 t -71.49 156.14 7.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.059 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.401 ' N ' HG12 ' D' ' 54' ' ' VAL . 34.1 m -148.53 -67.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.957 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.761 0.315 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -89.38 123.79 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.705 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 39.8 m-85 -110.12 132.33 54.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.352 0.596 . . . . 0.0 112.293 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -106.28 130.76 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.841 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.522 HG12 HD12 ' A' ' 7' ' ' LEU . 19.5 t -142.73 128.11 16.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.269 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -96.67 123.62 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.416 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.767 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 2.3 mp -135.1 114.58 12.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.68 0.276 . . . . 0.0 110.534 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -153.97 105.64 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.733 0.302 . . . . 0.0 110.726 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.67 93.68 1.75 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -123.93 179.11 4.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -85.49 85.14 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.3 mt -85.04 -27.55 26.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -104.27 176.82 5.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.953 0.406 . . . . 0.0 111.193 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.89 -35.25 5.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.085 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' O ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER -83.02 130.47 35.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.607 0.242 . . . . 0.0 110.641 179.617 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 15' ' ' GLU . 14.8 t 45.38 -169.74 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.09 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.29 -62.56 0.83 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.048 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 p 57.03 -173.08 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -152.74 138.68 18.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' B' ' 37' ' ' ASN . . . -133.41 -67.64 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.628 HG12 ' HE2' ' B' ' 34' ' ' PHE . 4.8 m -94.6 81.3 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.742 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.8 t70 -99.8 141.8 32.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.379 0.609 . . . . 0.0 111.295 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.21 -42.33 39.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.388 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -29.7 68.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.174 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.8 m -62.14 -40.22 95.23 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.049 0.452 . . . . 0.0 110.42 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.3 t80 -66.54 -47.22 73.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.948 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.04 -51.7 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.955 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -66.61 -50.24 63.65 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 25' ' ' THR . 61.7 t -61.8 -41.7 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.4 t -72.7 -44.54 59.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.03 -46.39 87.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.774 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -64.35 -44.73 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.561 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.7 -46.49 72.1 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.777 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 39.4 m-85 -74.87 -32.13 61.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -29.89 62.62 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.73 -17.82 57.34 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.035 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.651 ' OD1' HG23 ' A' ' 39' ' ' VAL . 20.5 p30 -106.6 -20.24 13.42 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.7 14.67 1.87 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.249 -0.977 . . . . 0.0 114.305 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.651 HG23 ' OD1' ' A' ' 37' ' ' ASN . 26.2 t -88.96 143.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.616 0.708 . . . . 0.0 110.679 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -154.45 -178.19 6.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.094 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.08 -143.47 17.97 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.406 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -151.88 158.98 43.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -74.07 118.58 17.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -111.15 141.58 44.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.373 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.87 143.73 52.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.089 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 159.21 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -66.72 129.97 41.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.343 . . . . 0.0 110.747 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.37 143.48 34.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.917 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -138.36 156.52 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.484 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -124.41 119.22 28.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.024 0.44 . . . . 0.0 111.44 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -105.83 133.02 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.21 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -80.85 115.99 20.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.4 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.3 m -94.1 124.04 37.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.31 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 55' ' ' THR . 5.1 t -71.39 154.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 111.416 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.751 HG22 ' HG2' ' A' ' 56' ' ' GLU . 87.4 m -140.24 -77.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.751 ' HG2' HG22 ' A' ' 55' ' ' THR . 4.9 pt-20 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.721 0.296 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.07 123.67 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.806 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.43 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 39.7 m-85 -110.04 132.05 54.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.284 0.564 . . . . 0.0 112.299 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -106.13 130.99 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.867 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.543 HG12 HD12 ' B' ' 7' ' ' LEU . 19.7 t -142.75 128.04 16.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.284 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mt -96.63 123.41 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.35 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.777 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 2.1 mp -135.1 114.9 12.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.462 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -154.55 109.01 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.38 72.67 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.768 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -113.57 156.91 22.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.668 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -135.77 138.15 42.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.35 -27.16 68.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.233 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -133.37 168.14 19.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 111.378 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.54 67.24 0.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.438 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -153.6 99.37 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.736 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -104.08 116.46 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -153.87 -61.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -76.57 171.08 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.32 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 59.55 165.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.294 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.22 38.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.617 HG12 ' HE2' ' A' ' 34' ' ' PHE . 4.3 m -90.4 80.77 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.2 0.524 . . . . 0.0 111.211 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' B' ' 25' ' ' THR . 13.7 t70 -100.03 141.8 32.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.279 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.18 -42.27 39.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.348 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.8 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.177 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.626 ' O ' HG23 ' B' ' 29' ' ' VAL . 83.9 m -62.09 -40.08 94.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.624 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.4 t80 -66.71 -47.08 73.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.934 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.03 -51.7 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.917 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -66.79 -50.09 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 25' ' ' THR . 62.0 t -61.84 -41.64 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 26' ' ' PHE . 62.0 t -72.7 -44.6 59.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.0 -46.36 88.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.001 0.429 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.44 -44.66 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.498 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.514 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.7 t80 -67.71 -46.58 71.8 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.767 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 39.4 m-85 -74.92 -32.09 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -29.93 62.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.986 0.422 . . . . 0.0 111.005 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.77 -17.73 57.12 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.026 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.657 ' OD1' HG23 ' B' ' 39' ' ' VAL . 20.5 p30 -106.68 -20.34 13.38 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.78 14.73 1.84 Allowed Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.225 -0.988 . . . . 0.0 114.252 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.657 HG23 ' OD1' ' B' ' 37' ' ' ASN . 27.8 t -89.1 143.27 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 117.654 0.727 . . . . 0.0 110.703 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -154.44 -178.02 6.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 111.019 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.02 -143.76 18.04 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.453 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -151.54 158.73 43.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -73.88 118.75 17.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.351 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 62.9 p -111.27 141.56 44.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.344 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -69.82 143.65 52.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.023 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.42 159.22 34.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.68 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -66.76 130.1 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 143.3 36.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 111.886 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 21.3 m -138.32 156.58 47.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.346 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -124.32 119.38 29.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.999 0.428 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 38.7 m -105.98 132.92 51.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.142 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -80.97 115.97 20.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.348 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 62.5 m -94.02 123.88 37.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.238 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.401 HG12 ' N ' ' B' ' 55' ' ' THR . 5.1 t -71.43 155.06 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.946 0.403 . . . . 0.0 111.323 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.754 HG22 ' HG2' ' B' ' 56' ' ' GLU . 87.4 m -140.19 -77.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.129 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.754 ' HG2' HG22 ' B' ' 55' ' ' THR . 4.6 pt-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.41 123.81 33.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.423 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 39.8 m-85 -110.0 132.22 54.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.302 0.572 . . . . 0.0 112.29 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -106.24 130.88 54.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.914 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.522 HG12 HD12 ' C' ' 7' ' ' LEU . 19.6 t -142.77 128.22 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.375 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.5 mt -97.01 123.69 49.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.395 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.762 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 2.3 mp -135.1 115.18 13.15 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.418 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -155.94 119.08 4.27 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.84 0.352 . . . . 0.0 111.939 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.94 95.42 2.0 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.274 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.67 86.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 110.551 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 35.3 p -136.66 169.66 17.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.146 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.52 ' N ' HD12 ' C' ' 12' ' ' LEU . 6.9 mp -96.39 -34.06 11.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -164.87 107.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.51 -36.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.711 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -117.13 115.37 25.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -125.47 139.56 53.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m 67.9 -67.68 0.18 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.213 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -62.5 -177.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 161.32 23.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.05 61.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.521 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.573 HG12 ' HE2' ' D' ' 34' ' ' PHE . 3.0 m 42.54 81.64 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.228 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.5 t70 -97.65 140.86 31.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.456 0.646 . . . . 0.0 112.136 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.423 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -49.34 -42.22 41.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.371 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.82 -29.76 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.164 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.625 ' O ' HG23 ' C' ' 29' ' ' VAL . 78.7 m -62.15 -40.16 95.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.5 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.609 ' O ' HG23 ' C' ' 30' ' ' VAL . 19.4 t80 -66.58 -47.26 73.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.985 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.97 -51.65 68.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.009 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -66.69 -50.02 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.625 HG23 ' O ' ' C' ' 25' ' ' THR . 61.7 t -61.75 -41.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.609 HG23 ' O ' ' C' ' 26' ' ' PHE . 61.3 t -72.63 -44.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.0 -46.4 87.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 0.0 110.768 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.38 -44.66 90.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.495 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.529 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.7 t80 -67.83 -46.43 71.84 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.765 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 39.6 m-85 -74.92 -32.04 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -29.98 62.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.021 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.79 -17.81 57.54 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.039 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.653 ' OD1' HG23 ' C' ' 39' ' ' VAL . 20.6 p30 -106.62 -20.3 13.4 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.7 14.65 1.87 Allowed Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.213 -0.994 . . . . 0.0 114.343 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.653 HG23 ' OD1' ' C' ' 37' ' ' ASN . 26.3 t -88.96 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 117.613 0.707 . . . . 0.0 110.777 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -154.49 -178.09 6.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 111.155 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.07 -143.49 17.97 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.433 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -151.7 158.92 44.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 111.199 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -74.09 118.58 17.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.308 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 64.0 p -111.21 141.67 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.379 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -70.03 143.68 52.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.044 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 159.31 34.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.677 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.86 130.1 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 143.0 34.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.064 0.459 . . . . 0.0 111.986 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 20.1 m -138.19 156.58 47.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.356 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -124.68 119.4 28.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 0.0 111.299 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 39.4 m -105.9 133.02 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.169 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -80.96 115.95 20.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.363 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 71.8 m -93.99 124.16 37.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.313 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.407 HG12 ' N ' ' C' ' 55' ' ' THR . 5.2 t -71.74 155.2 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 111.381 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.754 HG22 ' HG2' ' C' ' 56' ' ' GLU . 87.9 m -140.52 -77.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.084 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' GLU . . . . . 0.754 ' HG2' HG22 ' C' ' 55' ' ' THR . 4.6 pt-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.48 123.68 33.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.73 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.423 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 40.1 m-85 -109.97 132.14 54.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.288 0.566 . . . . 0.0 112.269 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -106.22 130.99 53.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.807 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.523 HG12 HD12 ' D' ' 7' ' ' LEU . 19.4 t -142.73 128.08 16.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.287 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.7 mt -96.82 123.65 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.424 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.765 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 2.3 mp -135.05 115.06 13.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.378 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -155.64 112.45 3.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.09 120.75 19.2 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.021 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -152.19 160.93 43.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.696 0.284 . . . . 0.0 110.751 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 4.0 t -139.46 146.26 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.005 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -144.16 51.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.078 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -140.07 170.37 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.409 . . . . 0.0 111.293 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.26 -56.08 24.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.413 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.09 170.95 15.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.674 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' THR . . . . . 0.532 HG23 ' O ' ' D' ' 16' ' ' THR . 12.0 t -92.02 108.92 20.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 70.5 p -87.15 172.2 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -99.32 152.54 19.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.87 138.46 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.967 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' C' ' 37' ' ' ASN . . . -118.09 -61.49 1.67 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.027 0.441 . . . . 0.0 111.239 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.616 HG12 ' HE2' ' C' ' 34' ' ' PHE . 4.3 m -91.09 80.5 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.056 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.9 t70 -99.69 141.76 32.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.303 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.406 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -49.09 -42.29 38.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.327 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.84 69.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.169 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.625 ' O ' HG23 ' D' ' 29' ' ' VAL . 82.6 m -62.08 -40.1 94.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.452 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.604 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.5 t80 -66.54 -47.42 72.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.949 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.93 -51.61 68.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.955 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -66.6 -50.36 63.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.625 HG23 ' O ' ' D' ' 25' ' ' THR . 61.0 t -61.73 -41.63 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.604 HG23 ' O ' ' D' ' 26' ' ' PHE . 61.1 t -72.6 -44.93 59.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -62.83 -46.42 88.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.967 0.413 . . . . 0.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.26 -44.79 90.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.544 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.7 t80 -67.76 -46.46 71.98 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.762 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 39.1 m-85 -74.9 -32.16 61.74 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -29.96 62.53 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.965 178.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.83 -17.74 57.45 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.011 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.651 ' OD1' HG23 ' D' ' 39' ' ' VAL . 20.5 p30 -106.56 -20.36 13.39 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.71 14.67 1.86 Allowed Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.248 -0.977 . . . . 0.0 114.269 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.651 HG23 ' OD1' ' D' ' 37' ' ' ASN . 26.0 t -89.04 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 117.607 0.704 . . . . 0.0 110.747 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -154.51 -177.95 6.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.881 0.372 . . . . 0.0 111.037 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.95 -143.63 17.99 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.466 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -151.65 158.81 43.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.102 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -73.95 118.73 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.323 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 59.5 p -111.19 141.61 44.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.308 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -69.98 143.76 52.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.3 159.16 34.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.7 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.63 130.17 42.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.4 143.0 36.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.458 . . . . 0.0 111.908 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -138.13 156.53 47.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.41 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -124.49 119.68 29.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.0 111.393 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 36.9 m -106.34 133.08 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.154 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -80.97 116.01 20.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.442 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 61.7 m -94.02 124.12 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.28 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.69 155.06 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 111.355 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.746 HG22 ' HG2' ' D' ' 56' ' ' GLU . 87.7 m -140.31 -77.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.128 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 56' ' ' GLU . . . . . 0.746 ' HG2' HG22 ' D' ' 55' ' ' THR . 4.7 pt-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.45 125.22 35.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.801 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.514 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 37.4 m-85 -108.26 127.08 53.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.22 0.533 . . . . 0.0 112.17 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -106.81 124.79 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.2 125.02 14.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.7 mt -94.67 117.2 37.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.465 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -105.76 125.0 50.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.979 179.075 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -152.99 108.65 3.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.813 0.339 . . . . 0.0 111.065 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.64 100.55 2.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 tttt -154.05 87.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 110.717 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -146.21 113.25 6.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.22 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.59 159.13 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.561 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.46 34.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.38 117.17 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 16' ' ' THR . 6.5 mm-40 62.87 133.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.036 0.446 . . . . 0.0 111.343 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 15' ' ' GLU . 14.7 t 45.24 -170.55 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.1 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 16' ' ' THR . 0.8 OUTLIER -159.19 158.38 32.58 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.824 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.5 p -125.19 87.18 2.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -76.67 133.92 39.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.34 -63.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.3 p -79.67 70.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.724 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 25' ' ' THR . 14.8 t70 -102.36 145.44 29.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.227 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.507 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.21 -43.23 64.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.302 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.34 75.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.078 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.2 m -63.05 -39.56 95.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.308 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.726 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.1 t80 -64.79 -53.01 53.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.974 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -53.7 -49.24 68.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.866 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -66.81 -48.67 68.23 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 25' ' ' THR . 70.7 t -63.69 -42.2 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 26' ' ' PHE . 49.0 t -69.82 -45.1 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.041 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -64.17 -45.41 88.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.94 -41.35 95.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.4 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.524 ' HZ ' HG22 ' B' ' 25' ' ' THR . 3.8 t80 -68.39 -48.39 64.83 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.432 ' HB3' HG21 ' A' ' 39' ' ' VAL . 28.9 m-85 -78.03 -31.24 50.33 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.15 -29.22 44.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.014 0.435 . . . . 0.0 111.062 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -61.24 -17.15 51.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.118 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 39' ' ' VAL . 11.2 p30 -103.84 -17.82 14.89 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.11 16.3 2.18 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.258 -0.972 . . . . 0.0 113.919 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.0 t -89.14 143.1 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.174 0.487 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.24 -179.74 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.112 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.51 -144.78 17.76 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.408 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -149.82 157.17 42.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CZ3' ' HB2' ' C' ' 52' ' ' PHE . 88.2 m95 -72.92 120.53 18.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.406 HG21 ' OG1' ' C' ' 53' ' ' THR . 52.0 p -114.63 139.11 49.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.18 144.45 50.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.486 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.48 157.0 38.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.64 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.1 136.31 54.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.2 140.82 43.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.642 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -136.47 156.44 48.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -117.79 148.08 42.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.5 m -142.12 131.2 23.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.293 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.6 117.99 22.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.37 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -92.59 124.37 36.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.94 155.42 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.965 0.412 . . . . 0.0 111.156 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.8 m -147.73 -68.48 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.938 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.839 0.352 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -90.34 125.3 35.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.507 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.4 m-85 -108.36 127.16 53.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.254 0.549 . . . . 0.0 112.137 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -106.77 124.77 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.95 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -142.17 124.76 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -94.45 117.17 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.531 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.2 OUTLIER -105.79 124.79 50.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.898 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -153.03 108.88 3.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.004 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.81 -56.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.18 109.82 12.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.1 t -146.3 66.61 1.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.74 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.487 ' N ' HD12 ' B' ' 12' ' ' LEU . 6.1 mp 59.92 34.5 21.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.811 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -170.49 126.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.59 67.67 1.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.586 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -104.66 32.34 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 17.1 m -111.47 -46.68 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.741 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -75.04 168.0 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.683 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.2 p -79.08 123.51 27.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -74.15 163.36 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.159 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.69 -59.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.514 HG13 ' O ' ' B' ' 21' ' ' VAL . 7.2 p -84.55 71.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.165 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.417 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.9 t70 -102.81 145.38 29.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.336 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.514 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -52.15 -43.42 64.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.215 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.28 75.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.032 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.682 ' O ' HG23 ' B' ' 29' ' ' VAL . 18.5 m -63.11 -39.37 94.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.34 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.722 ' O ' HG23 ' B' ' 30' ' ' VAL . 78.7 t80 -64.99 -53.03 52.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.877 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -53.75 -49.06 69.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.877 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -66.95 -48.71 67.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.682 HG23 ' O ' ' B' ' 25' ' ' THR . 71.2 t -63.51 -42.33 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 26' ' ' PHE . 49.5 t -69.89 -44.82 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.105 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -64.35 -45.42 87.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.987 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -65.01 -41.29 95.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.466 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.541 ' HZ ' HG22 ' A' ' 25' ' ' THR . 3.8 t80 -68.41 -48.37 64.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.442 ' HB3' HG21 ' B' ' 39' ' ' VAL . 28.7 m-85 -78.05 -31.08 50.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.31 -29.1 46.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.964 0.412 . . . . 0.0 111.04 178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -61.18 -17.16 51.62 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.082 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.447 ' OD1' HG23 ' B' ' 39' ' ' VAL . 11.5 p30 -104.08 -17.72 14.82 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.92 16.46 2.2 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.931 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.447 HG23 ' OD1' ' B' ' 37' ' ' ASN . 22.0 t -89.12 143.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 117.12 0.46 . . . . 0.0 111.061 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -154.45 -179.72 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 111.129 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.47 -145.08 17.9 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -149.56 156.9 42.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.848 0.356 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -72.65 120.71 18.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.094 0.474 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 55.0 p -114.81 138.83 50.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.95 144.29 50.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.507 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.51 156.94 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.689 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.25 136.46 54.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 140.26 44.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.632 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.6 m -135.75 156.41 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.83 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -117.81 148.08 42.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 11.3 m -142.07 131.13 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.239 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.41 ' HB2' ' CZ3' ' D' ' 43' ' ' TRP . 61.2 t80 -81.47 117.94 22.3 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.379 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.412 ' OG1' HG21 ' D' ' 44' ' ' THR . 94.8 m -92.64 124.56 36.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.99 156.0 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.934 0.397 . . . . 0.0 111.08 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 55.1 m -148.16 -68.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.843 0.354 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -90.36 125.29 35.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.521 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 37.0 m-85 -108.32 127.13 53.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.287 0.565 . . . . 0.0 112.178 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -106.84 124.77 50.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.951 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.1 t -142.15 124.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -94.77 117.29 38.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.586 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.2 OUTLIER -105.7 124.83 50.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.941 179.167 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -154.97 115.78 3.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.737 0.303 . . . . 0.0 111.354 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.08 88.21 1.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.879 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -71.78 147.75 46.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.628 0.251 . . . . 0.0 110.461 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 53.1 p -79.56 83.14 5.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.794 0.331 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -100.1 175.77 5.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.721 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 176.07 5.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.51 124.43 2.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.359 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -70.5 92.54 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 111.019 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -131.48 92.83 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.64 174.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -97.05 -31.76 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -68.11 136.78 54.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.236 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.53 49.38 2.24 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.914 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.446 ' O ' HG13 ' C' ' 21' ' ' VAL . 6.8 p 42.49 74.5 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.781 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.43 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.3 t70 -102.35 144.66 30.56 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.097 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.514 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -52.42 -43.35 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.235 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.23 75.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.666 ' O ' HG23 ' C' ' 29' ' ' VAL . 18.3 m -63.11 -39.55 95.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.213 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.714 ' O ' HG23 ' C' ' 30' ' ' VAL . 78.8 t80 -64.92 -52.9 53.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.861 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -53.79 -49.35 68.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.816 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -66.81 -48.59 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.666 HG23 ' O ' ' C' ' 25' ' ' THR . 73.3 t -63.68 -42.25 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.714 HG23 ' O ' ' C' ' 26' ' ' PHE . 53.2 t -69.8 -44.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.973 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -64.31 -45.44 87.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -65.02 -41.33 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.437 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.523 ' HZ ' HG22 ' D' ' 25' ' ' THR . 3.8 t80 -68.32 -48.46 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.425 ' HB3' HG21 ' C' ' 39' ' ' VAL . 28.7 m-85 -78.13 -31.21 49.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.27 -29.12 45.93 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.057 -0.402 . . . . 0.0 111.059 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.26 -17.15 52.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.967 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.454 ' OD1' HG23 ' C' ' 39' ' ' VAL . 11.3 p30 -104.0 -17.88 14.8 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.24 16.06 2.18 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.869 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.454 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.1 t -88.89 143.18 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.276 0.538 . . . . 0.0 111.108 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -154.32 -179.57 8.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.926 0.393 . . . . 0.0 111.138 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.29 -144.98 17.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.412 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -149.71 157.02 42.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 110.97 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.79 120.59 18.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.4 p -114.59 138.96 50.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.1 144.23 50.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.448 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.36 157.06 38.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.666 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.04 136.15 54.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.87 140.21 43.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.605 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 19.8 m -135.96 156.39 48.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -117.86 148.32 42.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 12.7 m -142.34 131.13 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.23 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' PHE . . . . . 0.401 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 61.5 t80 -81.38 118.26 22.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.483 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 53' ' ' THR . . . . . 0.406 ' OG1' HG21 ' A' ' 44' ' ' THR . 91.8 m -92.82 124.34 36.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.284 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.08 155.38 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.891 0.377 . . . . 0.0 111.128 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 55.5 m -147.72 -68.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.786 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.962 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 121.006 0.431 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.46 125.18 35.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.759 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.514 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.2 m-85 -108.27 127.09 53.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.348 0.595 . . . . 0.0 112.144 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -106.75 124.58 49.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -142.2 124.88 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 34.3 mt -94.67 117.33 38.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.515 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.428 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.2 OUTLIER -105.77 125.26 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.983 179.135 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -152.92 109.05 3.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 111.563 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.27 121.53 21.15 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.316 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -89.07 179.95 6.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 110.919 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -149.29 36.7 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.675 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.73 -35.64 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.061 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -107.62 80.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.22 -178.51 23.54 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.695 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLU . . . . . 0.437 ' O ' HG22 ' D' ' 16' ' ' THR . 48.9 mt-10 -100.75 105.31 16.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 16' ' ' THR . . . . . 0.437 HG22 ' O ' ' D' ' 15' ' ' GLU . 15.3 t 44.15 34.69 1.03 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.927 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 5.2 m -100.4 -63.41 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.764 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 7.6 p -76.87 92.3 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -140.93 84.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.6 -36.59 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.522 HG13 ' O ' ' D' ' 21' ' ' VAL . 7.4 p -85.0 71.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.227 0.537 . . . . 0.0 110.983 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' D' ' 25' ' ' THR . 15.1 t70 -102.66 145.51 29.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.204 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.521 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -52.06 -43.59 63.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.248 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.031 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.66 ' O ' HG23 ' D' ' 29' ' ' VAL . 18.6 m -63.01 -39.57 95.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.706 ' O ' HG23 ' D' ' 30' ' ' VAL . 78.9 t80 -64.95 -52.97 53.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.826 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -53.74 -49.28 68.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.752 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -66.82 -48.8 67.81 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.66 HG23 ' O ' ' D' ' 25' ' ' THR . 75.3 t -63.49 -42.21 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.706 HG23 ' O ' ' D' ' 26' ' ' PHE . 51.8 t -69.89 -44.96 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.034 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -64.11 -45.54 88.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.98 -41.25 95.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.388 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.53 ' HZ ' HG22 ' C' ' 25' ' ' THR . 3.8 t80 -68.46 -48.41 64.6 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.43 ' HB3' HG21 ' D' ' 39' ' ' VAL . 28.5 m-85 -78.07 -31.18 50.05 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.21 -29.09 45.04 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.993 0.425 . . . . 0.0 111.069 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -61.14 -17.23 51.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.053 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.443 ' OD1' HG23 ' D' ' 39' ' ' VAL . 11.4 p30 -104.14 -17.85 14.75 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.24 16.42 2.13 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.855 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.443 HG23 ' OD1' ' D' ' 37' ' ' ASN . 22.0 t -89.27 143.19 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.221 0.511 . . . . 0.0 111.052 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -154.28 -179.41 7.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.17 -145.08 18.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -149.74 157.05 42.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.851 0.358 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 43' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' B' ' 52' ' ' PHE . 88.5 m95 -72.83 120.44 18.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 44' ' ' THR . . . . . 0.412 HG21 ' OG1' ' B' ' 53' ' ' THR . 51.9 p -114.55 139.23 49.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.778 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -71.14 144.5 50.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.457 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.54 156.96 38.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.85 136.06 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 140.61 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.702 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -136.28 156.47 48.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -117.8 148.27 42.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 11.6 m -142.37 131.25 22.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.263 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -81.68 118.34 22.75 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.496 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -93.04 124.48 37.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.234 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.03 155.54 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 53.0 m -147.89 -68.16 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.81 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.004 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.734 0.302 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.67 123.28 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.569 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 36.9 m-85 -110.88 132.77 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.34 0.591 . . . . 0.0 112.082 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -106.44 129.32 54.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.36 123.11 11.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 mt -96.55 117.22 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.58 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' HA ' HG11 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -106.08 122.71 46.72 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.838 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -155.17 111.0 3.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.948 0.404 . . . . 0.0 111.63 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.51 78.56 0.57 Allowed Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.667 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -123.46 176.11 6.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.662 0.268 . . . . 0.0 110.848 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.31 147.21 39.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.074 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 tp -86.08 -48.2 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.068 0.461 . . . . 0.0 110.752 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -154.98 94.9 1.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.805 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.89 142.9 3.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.3 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.71 101.73 8.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 111.086 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 t -101.58 144.5 30.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.706 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.4 m -98.07 -35.75 10.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.079 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -142.3 143.28 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.82 144.72 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.968 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.84 -57.92 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' A' ' 7' ' ' LEU . 17.3 t -96.12 90.58 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.837 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.491 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.8 t70 -100.61 137.69 38.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.811 -179.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.677 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -45.21 -44.35 10.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.851 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -24.52 66.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.473 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 29' ' ' VAL . 96.4 m -60.73 -40.06 90.98 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.075 0.464 . . . . 0.0 110.38 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 30' ' ' VAL . 26.3 t80 -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.43 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 39.1 mt-10 -54.97 -52.74 62.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.135 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -67.39 -48.1 68.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.617 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 57.5 t -63.58 -42.01 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 26' ' ' PHE . 62.0 t -69.98 -46.2 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -63.42 -45.27 91.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.004 0.431 . . . . 0.0 110.408 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -62.83 -46.02 89.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.143 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.9 t80 -67.86 -46.35 71.97 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 37.3 m-85 -75.32 -32.75 61.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.4 -30.65 60.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.059 0.457 . . . . 0.0 111.15 178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -62.24 -17.87 59.59 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.272 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.721 ' OD1' HG23 ' A' ' 39' ' ' VAL . 21.8 p30 -106.12 -20.86 13.28 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.65 13.62 2.02 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 120.206 -0.997 . . . . 0.0 114.335 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.721 HG23 ' OD1' ' A' ' 37' ' ' ASN . 24.8 t -89.01 143.22 11.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 117.668 0.734 . . . . 0.0 110.635 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -156.84 -178.22 7.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.125 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.04 -145.42 17.68 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.261 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -148.61 156.11 41.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 111.056 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 88.8 m95 -72.9 117.1 14.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.034 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -111.05 138.58 47.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.533 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -70.24 142.73 52.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.624 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.4 158.0 37.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.55 132.48 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.772 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.36 141.14 37.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.13 0.491 . . . . 0.0 111.866 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 m -137.76 156.73 47.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.564 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -125.72 125.03 42.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.878 0.37 . . . . 0.0 111.275 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.9 m -110.36 134.26 52.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.467 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -81.03 118.13 22.22 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.2 m -92.07 121.88 34.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.324 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 55' ' ' THR . 6.4 t -71.85 156.11 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.405 ' N ' HG12 ' A' ' 54' ' ' VAL . 88.4 m -150.23 -71.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.807 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.042 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.751 0.31 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.75 123.34 33.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.677 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.2 m-85 -110.83 132.66 54.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.566 . . . . 0.0 112.122 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -106.42 129.37 54.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.36 123.36 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mt -96.85 117.18 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 111.556 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.475 ' HA ' HG11 ' B' ' 21' ' ' VAL . 0.5 OUTLIER -105.79 122.78 46.78 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -155.01 109.54 2.97 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.921 0.391 . . . . 0.0 111.435 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.16 37.65 3.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.724 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -98.1 131.77 44.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.79 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 17.3 m -98.65 95.74 7.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 37.8 mt -114.97 -38.67 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -172.79 153.57 2.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.68 -161.65 42.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.597 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 60.25 95.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.0 t -68.06 158.13 33.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.3 p 55.8 -169.73 0.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.404 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.8 t -82.06 165.04 20.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.338 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -151.97 151.64 31.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.447 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.93 65.96 1.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.83 0.348 . . . . 0.0 111.705 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' B' ' 7' ' ' LEU . 18.6 t -99.15 91.25 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.065 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.502 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.1 t70 -100.44 137.65 38.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.183 0.516 . . . . 0.0 112.053 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.672 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -45.19 -44.3 10.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.791 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -24.68 66.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.413 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.616 ' O ' HG23 ' B' ' 29' ' ' VAL . 95.7 m -60.6 -40.14 90.7 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.18 0.514 . . . . 0.0 110.389 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.65 ' O ' HG23 ' B' ' 30' ' ' VAL . 26.3 t80 -68.87 -47.19 66.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.523 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.425 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 38.2 mt-10 -55.08 -52.55 62.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.221 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -67.36 -48.3 67.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.618 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 57.4 t -63.35 -42.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 26' ' ' PHE . 61.8 t -69.91 -46.45 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -63.24 -45.27 92.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.43 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -62.76 -45.99 90.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.617 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.8 t80 -67.93 -46.39 71.64 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.508 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 37.5 m-85 -75.27 -32.86 61.18 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.33 -30.61 60.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.966 0.413 . . . . 0.0 111.163 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.25 -17.91 59.71 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.271 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.71 ' OD1' HG23 ' B' ' 39' ' ' VAL . 21.7 p30 -106.04 -20.96 13.26 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.78 13.82 1.97 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.224 -0.989 . . . . 0.0 114.263 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.71 HG23 ' OD1' ' B' ' 37' ' ' ASN . 25.4 t -89.18 143.09 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 117.711 0.756 . . . . 0.0 110.583 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -156.71 -177.98 7.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.095 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.88 -145.53 17.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.145 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -148.65 156.05 41.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 111.041 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 89.0 m95 -72.85 116.84 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -110.83 138.63 46.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.555 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.3 142.59 52.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.624 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.452 ' CG ' ' HG1' ' D' ' 51' ' ' THR . 1.0 OUTLIER -71.37 157.94 37.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.681 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.48 132.81 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.67 141.46 37.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.042 0.448 . . . . 0.0 111.868 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 34.8 m -138.36 156.95 47.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.457 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -125.81 125.2 42.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.96 0.41 . . . . 0.0 111.298 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.435 ' HG1' ' CG ' ' D' ' 46' ' ' ASP . 20.1 m -110.14 134.17 52.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.415 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -81.07 118.1 22.21 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.202 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 97.0 m -91.97 121.99 34.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.318 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 55' ' ' THR . 6.2 t -71.96 156.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 111.071 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.415 ' N ' HG12 ' B' ' 54' ' ' VAL . 89.0 m -150.15 -71.63 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.078 179.733 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.87 0.367 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -89.35 123.24 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.588 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.667 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 36.7 m-85 -110.94 132.9 53.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.352 0.596 . . . . 0.0 112.095 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -106.54 129.36 54.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.41 123.23 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.726 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -96.61 117.12 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 111.554 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.457 ' HA ' HG11 ' C' ' 21' ' ' VAL . 0.5 OUTLIER -106.01 122.4 46.08 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.746 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -153.88 109.08 3.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 111.21 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.11 45.47 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.789 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.68 154.96 31.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -169.67 136.11 1.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.557 ' N ' HD12 ' C' ' 12' ' ' LEU . 5.9 mp -79.24 -49.64 12.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -157.8 174.44 15.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.047 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.47 72.25 0.91 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.672 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -69.66 108.37 3.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.341 . . . . 0.0 110.667 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 26.1 m -96.4 102.2 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 95.8 m 63.5 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.243 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 77.1 p -156.86 162.73 39.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -150.62 113.87 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.62 50.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.344 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' C' ' 7' ' ' LEU . 20.7 t -93.89 90.45 2.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.527 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.6 t70 -99.8 137.42 38.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.228 0.537 . . . . 0.0 112.165 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.667 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -45.18 -44.12 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.745 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -24.63 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.345 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.622 ' O ' HG23 ' C' ' 29' ' ' VAL . 96.0 m -60.6 -40.25 91.12 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 0.0 110.291 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.645 ' O ' HG23 ' C' ' 30' ' ' VAL . 25.8 t80 -68.68 -47.3 66.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.598 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' CE2' ' C' ' 43' ' ' TRP . 38.5 mt-10 -54.94 -52.66 62.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.146 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -67.36 -48.27 67.94 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.622 HG23 ' O ' ' C' ' 25' ' ' THR . 58.3 t -63.42 -42.23 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.645 HG23 ' O ' ' C' ' 26' ' ' PHE . 59.1 t -69.69 -46.38 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -63.22 -45.28 92.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.008 0.432 . . . . 0.0 110.473 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -62.87 -46.13 89.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.116 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.622 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.8 t80 -67.76 -46.46 72.02 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 37.3 m-85 -75.28 -32.67 61.09 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.63 -30.41 60.9 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.958 0.408 . . . . 0.0 111.126 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.27 -18.01 60.09 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.197 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.723 ' OD1' HG23 ' C' ' 39' ' ' VAL . 21.9 p30 -105.96 -20.95 13.27 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.91 13.68 1.96 Allowed Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.168 -1.015 . . . . 0.0 114.242 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.723 HG23 ' OD1' ' C' ' 37' ' ' ASN . 25.7 t -89.13 143.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 117.645 0.722 . . . . 0.0 110.602 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -156.84 -178.28 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.932 0.396 . . . . 0.0 111.026 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.13 -145.33 17.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.276 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -148.8 156.15 41.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' TRP . . . . . 0.422 ' CE2' ' HG2' ' C' ' 27' ' ' GLU . 88.9 m95 -72.97 116.97 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.8 p -110.87 138.7 46.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.599 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.3 142.69 52.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.651 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.54 157.94 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.976 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.37 132.78 49.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.748 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.55 141.21 38.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.883 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 32.1 m -137.78 156.66 47.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.483 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -125.71 125.04 42.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.939 0.4 . . . . 0.0 111.248 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 20.2 m -110.29 134.22 52.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.454 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -81.13 118.01 22.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.217 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 96.9 m -92.07 121.97 34.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.213 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.415 HG12 ' N ' ' C' ' 55' ' ' THR . 6.4 t -71.74 156.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.111 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.415 ' N ' HG12 ' C' ' 54' ' ' VAL . 87.3 m -150.42 -71.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.875 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.072 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -89.38 123.17 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.606 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.667 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.0 m-85 -110.88 132.68 54.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.388 0.613 . . . . 0.0 112.183 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -106.4 129.44 54.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.42 122.99 11.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.754 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mt -96.29 116.97 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 111.482 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.475 ' HA ' HG11 ' D' ' 21' ' ' VAL . 0.5 OUTLIER -104.19 121.49 43.38 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -161.35 -44.58 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.428 0.632 . . . . 0.0 110.279 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.87 -122.9 6.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.48 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 26.8 tttp 57.24 88.59 0.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.879 0.371 . . . . 0.0 110.978 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -164.49 172.63 13.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 tp 58.24 103.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -67.84 100.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.108 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.78 -106.64 0.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -129.18 150.06 50.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.51 -61.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 8.0 m 67.9 -69.11 0.15 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 9.5 t -114.18 142.82 45.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.671 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.11 122.41 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.37 -68.93 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' D' ' 7' ' ' LEU . 18.1 t -96.94 91.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.495 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.8 t70 -100.68 137.51 38.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.92 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.667 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -45.15 -44.35 10.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.773 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.68 -24.56 66.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.39 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.612 ' O ' HG23 ' D' ' 29' ' ' VAL . 95.6 m -60.68 -40.07 90.81 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.179 0.514 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.654 ' O ' HG23 ' D' ' 30' ' ' VAL . 26.1 t80 -68.95 -47.06 66.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.56 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 27' ' ' GLU . . . . . 0.429 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 37.6 mt-10 -55.01 -52.72 62.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.109 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -67.53 -48.15 67.86 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.622 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 57.6 t -63.42 -42.14 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.654 HG23 ' O ' ' D' ' 26' ' ' PHE . 61.8 t -69.93 -46.28 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -63.29 -45.38 91.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.423 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -62.71 -45.99 90.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.158 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.611 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.8 t80 -68.0 -46.39 71.43 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.505 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 37.6 m-85 -75.26 -32.7 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -55.54 -30.6 61.04 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.138 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -62.26 -17.8 59.48 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.258 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.711 ' OD1' HG23 ' D' ' 39' ' ' VAL . 21.8 p30 -106.12 -20.93 13.26 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.73 13.77 1.98 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.226 -0.988 . . . . 0.0 114.288 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.711 HG23 ' OD1' ' D' ' 37' ' ' ASN . 25.2 t -89.16 143.2 11.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 117.632 0.716 . . . . 0.0 110.542 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -156.82 -178.03 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.03 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.86 -145.63 17.81 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.222 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -148.55 155.89 41.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 111.095 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 43' ' ' TRP . . . . . 0.429 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 88.9 m95 -72.72 117.05 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 59.0 p -110.94 138.57 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.51 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.2 142.78 52.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.653 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 46' ' ' ASP . . . . . 0.435 ' CG ' ' HG1' ' B' ' 51' ' ' THR . 1.0 OUTLIER -71.49 157.87 37.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.41 132.61 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.2 140.62 38.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.912 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 32.9 m -136.96 156.55 48.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.558 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -125.6 124.98 42.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 111.235 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 51' ' ' THR . . . . . 0.452 ' HG1' ' CG ' ' B' ' 46' ' ' ASP . 19.8 m -110.56 134.16 52.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.431 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -81.06 117.99 22.12 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.224 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -91.76 121.8 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.305 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.415 HG12 ' N ' ' D' ' 55' ' ' THR . 6.3 t -71.8 156.11 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 111.103 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.415 ' N ' HG12 ' D' ' 54' ' ' VAL . 88.3 m -150.07 -71.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.211 -0.899 . . . . 0.0 111.104 179.695 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.816 0.341 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.61 ' HG3' HG23 ' D' ' 49' ' ' THR . 0.9 OUTLIER -91.78 125.51 36.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.049 179.175 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.477 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 43.4 m-85 -109.68 134.63 51.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.319 0.58 . . . . 0.0 112.488 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -106.57 126.99 52.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.487 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.92 130.25 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.371 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -97.14 133.12 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -134.2 120.17 19.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.317 179.327 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -152.99 -69.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.182 0.515 . . . . 0.0 110.528 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.51 71.74 0.59 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.519 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -159.88 143.37 14.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 0.0 110.679 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -120.93 164.15 17.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.139 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 tp -89.76 -34.95 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.068 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -106.13 91.04 3.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.29 158.27 9.48 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.38 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -92.08 173.92 7.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.1 m -65.04 152.89 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.89 -51.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -161.1 130.05 4.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.73 179.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' B' ' 37' ' ' ASN . . . -164.62 -63.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.558 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.583 HG12 ' CE1' ' B' ' 34' ' ' PHE . 3.2 m -87.46 92.16 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.109 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.9 t70 -102.26 143.41 32.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.45 -43.25 55.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.38 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.55 73.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.086 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.665 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.5 m -63.27 -41.43 99.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.355 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.742 ' O ' HG23 ' A' ' 30' ' ' VAL . 59.4 t80 -65.08 -53.57 43.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.027 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 30.6 mt-10 -54.22 -49.02 70.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.081 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.65 -50.4 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 25' ' ' THR . 57.6 t -61.72 -39.59 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.9 t -69.0 -45.63 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.797 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -64.5 -45.06 88.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.059 0.457 . . . . 0.0 110.668 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -64.31 -43.3 95.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.335 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.648 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 3.9 t80 -67.52 -47.59 69.5 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CE1' HG12 ' B' ' 21' ' ' VAL . 29.7 m-85 -78.28 -32.29 49.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -53.18 -29.15 30.14 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.008 0.432 . . . . 0.0 111.171 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -61.3 -17.14 52.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.143 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' OD1' HG23 ' A' ' 39' ' ' VAL . 12.3 p30 -103.9 -18.03 14.78 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.63 17.22 2.15 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.704 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 34' ' ' PHE . 25.6 t -88.43 143.23 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 117.084 0.442 . . . . 0.0 110.899 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -152.96 178.55 9.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 0.0 111.114 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.76 -144.68 17.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.368 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -150.12 157.39 43.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.983 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 85.6 m95 -73.52 122.08 21.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.9 p -114.79 138.19 51.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.659 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -71.83 143.67 49.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.744 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.38 156.72 39.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.691 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 141.56 55.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.775 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.57 138.59 51.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.589 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.601 HG23 ' HG3' ' D' ' 2' ' ' GLN . 56.0 m -128.55 156.67 42.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.11 137.58 52.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.762 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.2 m -136.64 126.38 25.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -80.76 124.8 29.35 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.633 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -99.11 122.26 42.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.261 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.88 155.72 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.929 0.395 . . . . 0.0 111.153 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 m -150.73 -70.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.958 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.853 0.359 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.62 ' HG3' HG23 ' C' ' 49' ' ' THR . 0.9 OUTLIER -91.94 125.63 36.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.065 179.249 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.474 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 44.1 m-85 -109.83 134.66 51.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -106.65 127.0 53.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.485 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.97 130.39 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.481 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 12.6 mt -97.41 132.14 42.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.433 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.531 HD22 ' HB2' ' B' ' 26' ' ' PHE . 0.4 OUTLIER -134.7 122.13 21.76 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.679 179.49 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -146.61 122.03 10.33 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.441 0.639 . . . . 0.0 112.238 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.11 61.46 0.45 Allowed Glycine 0 CA--C 1.518 0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.694 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -151.69 121.41 6.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 0.0 111.014 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 66.4 p 52.02 76.79 0.17 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.576 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.811 HD22 ' HB1' ' B' ' 20' ' ' ALA . 9.5 mp -108.9 -33.09 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.637 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -150.75 84.93 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.742 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.76 -77.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.548 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.634 ' O ' HG23 ' B' ' 17' ' ' THR . 6.3 mt-10 -97.53 175.59 6.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.8 t -58.98 -33.48 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.232 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.634 HG23 ' O ' ' B' ' 15' ' ' GLU . 12.2 p 55.75 -170.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -127.49 149.38 50.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.037 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 60.88 85.94 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.811 ' HB1' HD22 ' B' ' 12' ' ' LEU . . . -144.3 60.27 1.35 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.539 HG12 ' CE1' ' A' ' 34' ' ' PHE . 2.4 m 38.77 96.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.053 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.6 t70 -102.0 142.65 32.94 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.402 0.62 . . . . 0.0 111.92 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.477 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.75 -43.36 58.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.457 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.64 74.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.045 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.669 ' O ' HG23 ' B' ' 29' ' ' VAL . 27.5 m -63.3 -41.38 98.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.73 ' O ' HG23 ' B' ' 30' ' ' VAL . 59.3 t80 -64.94 -53.66 42.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.97 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 29.6 mt-10 -54.29 -48.95 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.033 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.7 -50.43 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 25' ' ' THR . 57.7 t -61.71 -39.65 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.73 HG23 ' O ' ' B' ' 26' ' ' PHE . 62.9 t -68.89 -45.88 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.789 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -64.37 -45.11 89.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.538 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -64.2 -43.47 94.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.405 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.645 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 3.9 t80 -67.28 -47.61 70.15 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.583 ' CE1' HG12 ' A' ' 21' ' ' VAL . 29.1 m-85 -78.21 -32.46 49.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -53.06 -29.14 28.27 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 122.033 -0.417 . . . . 0.0 111.112 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -61.24 -17.11 51.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.149 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.62 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 12.4 p30 -104.09 -18.01 14.71 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.59 17.54 2.11 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.68 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 34' ' ' PHE . 25.2 t -88.71 143.25 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.091 0.445 . . . . 0.0 110.836 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -153.12 178.04 10.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.916 0.389 . . . . 0.0 111.103 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.47 -144.5 17.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -150.3 157.35 42.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 85.5 m95 -73.63 122.16 21.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.112 0.482 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.404 HG21 ' OG1' ' D' ' 53' ' ' THR . 67.9 p -114.86 138.31 50.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.632 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -71.94 143.65 49.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.691 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.48 156.84 38.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.52 141.59 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.69 138.8 52.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.572 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.616 HG23 ' HG3' ' C' ' 2' ' ' GLN . 57.0 m -129.11 156.75 43.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.024 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -116.12 137.61 51.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.978 0.418 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 33.3 m -136.53 126.39 25.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.249 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -80.63 124.43 28.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.723 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.407 ' OG1' HG21 ' D' ' 44' ' ' THR . 84.7 m -98.92 122.31 42.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.272 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.07 155.6 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.86 0.362 . . . . 0.0 111.218 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.8 m -150.74 -70.5 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.047 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.877 0.37 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.616 ' HG3' HG23 ' B' ' 49' ' ' THR . 1.0 OUTLIER -91.87 125.72 36.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.978 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.469 ' CD1' ' CD1' ' D' ' 26' ' ' PHE . 43.3 m-85 -109.87 134.59 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.354 0.597 . . . . 0.0 112.494 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -106.54 126.73 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.48 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.75 130.16 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.426 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -97.01 133.2 39.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' C' ' 26' ' ' PHE . 0.4 OUTLIER -134.25 119.97 19.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.286 179.309 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -153.24 -72.97 0.14 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.171 0.51 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.8 64.87 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt 62.38 152.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -101.62 146.38 27.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 60.39 112.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -131.75 150.57 52.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.693 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.1 39.5 0.46 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -171.82 164.13 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 88.2 m -60.75 110.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.649 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.08 150.73 49.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.189 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -92.7 138.92 31.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.6 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -75.41 160.56 30.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.975 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' D' ' 37' ' ' ASN . . . -137.87 -71.83 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.554 HG12 ' CE1' ' D' ' 34' ' ' PHE . 3.1 m -85.0 91.28 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.147 0.498 . . . . 0.0 110.957 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.431 ' O ' ' HB ' ' C' ' 25' ' ' THR . 14.2 t70 -102.26 143.29 32.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.189 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.441 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -50.26 -43.29 53.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.378 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.67 -32.7 74.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.654 ' O ' HG23 ' C' ' 29' ' ' VAL . 28.7 m -63.21 -41.58 99.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.745 ' O ' HG23 ' C' ' 30' ' ' VAL . 59.0 t80 -64.84 -53.77 41.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.949 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 29.5 mt-10 -54.21 -48.82 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.083 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.86 -50.32 65.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.654 HG23 ' O ' ' C' ' 25' ' ' THR . 57.3 t -61.8 -39.66 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.745 HG23 ' O ' ' C' ' 26' ' ' PHE . 62.2 t -68.92 -45.68 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.745 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -64.5 -45.01 89.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.02 0.438 . . . . 0.0 110.59 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -64.35 -43.25 95.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.368 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.647 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 3.9 t80 -67.4 -47.66 69.64 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.55 ' CE1' HG12 ' D' ' 21' ' ' VAL . 29.1 m-85 -78.25 -32.28 49.61 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -53.27 -29.13 31.33 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.95 0.405 . . . . 0.0 111.14 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -61.25 -17.19 52.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.154 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.514 ' OD1' HG23 ' C' ' 39' ' ' VAL . 12.4 p30 -103.91 -18.14 14.73 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.84 17.27 2.1 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.783 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.516 HG21 ' HB3' ' C' ' 34' ' ' PHE . 24.7 t -88.31 143.3 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.099 0.45 . . . . 0.0 110.881 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -153.22 178.13 10.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.961 0.41 . . . . 0.0 111.082 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.23 -144.63 17.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.317 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -150.14 157.26 42.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 85.2 m95 -73.53 122.02 21.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.112 0.482 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.8 p -114.75 138.25 50.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.647 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.79 143.82 49.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.686 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.57 156.74 39.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.51 141.7 55.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.66 138.69 52.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.626 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' THR . . . . . 0.62 HG23 ' HG3' ' B' ' 2' ' ' GLN . 56.5 m -128.63 156.59 43.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.02 137.73 51.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 33.2 m -136.82 126.34 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.229 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -80.67 124.6 29.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.637 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -99.05 122.29 42.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.257 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.84 155.71 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.375 . . . . 0.0 111.159 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 72.4 m -150.74 -70.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.947 179.853 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' GLN . . . . . 0.601 ' HG3' HG23 ' A' ' 49' ' ' THR . 0.9 OUTLIER -91.78 125.62 36.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.055 179.202 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.463 ' CD1' ' CD1' ' C' ' 26' ' ' PHE . 43.7 m-85 -109.81 134.5 51.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.381 0.61 . . . . 0.0 112.405 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -106.5 126.79 52.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.477 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.63 130.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.424 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -97.14 132.99 40.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' D' ' 26' ' ' PHE . 0.4 OUTLIER -134.2 120.06 19.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.302 179.297 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -152.87 -73.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.141 0.496 . . . . 0.0 110.658 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.38 85.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.291 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -103.64 89.27 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.082 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -139.43 146.78 40.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -77.02 177.96 7.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttt 63.71 134.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.74 143.55 45.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.697 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 60.36 75.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -71.29 -34.76 70.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 22.2 m 67.83 -68.87 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -66.45 109.41 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.6 116.75 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' C' ' 37' ' ' ASN . . . -80.19 -78.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.783 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.55 HG12 ' CE1' ' C' ' 34' ' ' PHE . 2.8 m -85.02 93.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.9 t70 -102.28 143.37 32.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.359 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.444 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -50.44 -43.44 55.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.352 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.51 73.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.663 ' O ' HG23 ' D' ' 29' ' ' VAL . 28.9 m -63.23 -41.56 99.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.356 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.75 ' O ' HG23 ' D' ' 30' ' ' VAL . 59.0 t80 -64.89 -53.74 41.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.964 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 29.7 mt-10 -54.3 -48.78 70.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.098 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -65.81 -50.39 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.663 HG23 ' O ' ' D' ' 25' ' ' THR . 57.9 t -61.7 -39.63 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.75 HG23 ' O ' ' D' ' 26' ' ' PHE . 61.7 t -68.97 -45.8 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.752 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -64.36 -45.04 89.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.01 0.433 . . . . 0.0 110.522 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -64.38 -43.46 94.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.32 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.64 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 3.9 t80 -67.26 -47.59 70.25 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.554 ' CE1' HG12 ' C' ' 21' ' ' VAL . 29.3 m-85 -78.3 -32.27 49.27 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -53.27 -29.14 31.4 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.899 0.381 . . . . 0.0 111.086 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -61.2 -17.18 51.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.064 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.511 ' OD1' HG23 ' D' ' 39' ' ' VAL . 12.4 p30 -103.93 -18.1 14.74 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.61 17.57 2.1 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.211 -0.995 . . . . 0.0 113.688 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.511 HG23 ' OD1' ' D' ' 37' ' ' ASN . 25.9 t -88.67 143.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 117.094 0.447 . . . . 0.0 110.799 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -153.06 178.27 9.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.916 0.389 . . . . 0.0 111.101 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.15 -144.71 17.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.354 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -150.13 157.31 42.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.971 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 85.0 m95 -73.61 122.07 21.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.077 0.465 . . . . 0.0 111.111 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 44' ' ' THR . . . . . 0.407 HG21 ' OG1' ' B' ' 53' ' ' THR . 66.8 p -114.74 138.14 51.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.669 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.76 143.51 49.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.742 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.36 156.71 39.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.763 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.37 141.53 55.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.748 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.58 138.49 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.57 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 49' ' ' THR . . . . . 0.61 HG23 ' HG3' ' A' ' 2' ' ' GLN . 55.2 m -128.29 156.57 42.83 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.13 137.33 52.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.782 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 34.0 m -136.58 126.41 25.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.251 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -80.58 124.44 28.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.666 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 53' ' ' THR . . . . . 0.404 ' OG1' HG21 ' B' ' 44' ' ' THR . 85.1 m -98.85 122.26 41.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.338 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.02 155.7 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.401 . . . . 0.0 111.187 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 73.2 m -150.71 -70.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.982 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.756 0.313 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.18 123.12 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.657 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 36.0 m-85 -108.67 129.53 55.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.347 0.594 . . . . 0.0 112.098 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.2 125.64 51.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.605 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.505 HG12 HD12 ' A' ' 7' ' ' LEU . 17.5 t -142.34 125.58 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.247 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.58 124.57 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.491 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.758 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp -134.55 113.55 11.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.077 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -153.03 -63.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.064 0.459 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.96 -47.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.751 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm 61.53 111.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 t -155.11 147.91 24.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.702 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 tp -166.77 -54.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.98 0.419 . . . . 0.0 111.06 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -152.03 95.46 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.52 -127.39 1.13 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.03 167.55 21.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 t -83.09 154.11 24.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p 51.51 179.94 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.332 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -140.47 150.88 44.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.05 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -171.36 74.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.66 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.75 -65.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.234 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG12 ' HE2' ' B' ' 34' ' ' PHE . 4.0 m -98.75 85.45 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.218 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.1 t70 -101.99 144.36 30.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.337 0.589 . . . . 0.0 111.605 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.57 -42.99 56.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.328 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.45 -29.52 69.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' VAL . 87.2 m -62.2 -39.41 92.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.075 0.464 . . . . 0.0 110.401 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 30' ' ' VAL . 16.9 t80 -67.82 -50.41 56.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.861 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -53.75 -54.63 35.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.368 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.75 -50.44 64.74 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.652 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 55.3 t -62.96 -42.21 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.2 t -70.57 -45.77 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.32 -46.08 88.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.076 0.465 . . . . 0.0 110.399 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.59 -46.79 86.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.25 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.648 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.5 t80 -67.13 -45.9 75.72 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.75 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 35.4 m-85 -75.07 -34.63 61.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -55.38 -31.65 61.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.016 0.436 . . . . 0.0 110.931 178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.14 -17.62 58.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.062 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' A' ' 39' ' ' VAL . 17.9 p30 -105.53 -21.54 13.19 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.0 14.31 1.85 Allowed Glycine 0 CA--C 1.523 0.58 0 C-N-CA 120.308 -0.948 . . . . 0.0 114.239 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.662 HG23 ' OD1' ' A' ' 37' ' ' ASN . 31.6 t -88.96 143.29 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 117.581 0.69 . . . . 0.0 110.492 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.5 179.03 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 111.104 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.87 -144.82 17.59 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.391 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -149.01 156.13 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -73.89 118.15 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.14 0.495 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.2 p -110.91 141.28 44.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.527 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -69.75 143.98 52.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.897 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.32 159.26 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.033 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.32 128.97 38.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.515 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.28 142.35 32.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.868 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -136.49 156.6 48.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -124.27 119.85 30.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.988 0.423 . . . . 0.0 111.426 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.4 m -106.58 131.94 53.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.394 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -80.47 117.33 21.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.293 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -91.51 124.11 35.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.408 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 55' ' ' THR . 8.6 t -72.03 156.81 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.982 0.42 . . . . 0.0 111.112 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.428 ' N ' HG12 ' A' ' 54' ' ' VAL . 69.8 m -150.13 -69.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.825 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.046 179.845 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -87.25 122.99 31.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.655 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.42 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 36.0 m-85 -108.65 129.4 55.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.291 0.567 . . . . 0.0 112.143 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.07 125.74 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.62 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.52 HG12 HD12 ' B' ' 7' ' ' LEU . 17.5 t -142.41 125.57 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.281 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.55 124.46 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.441 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.75 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp -134.67 113.43 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.172 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -152.62 -66.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.978 0.418 . . . . 0.0 111.114 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.85 70.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.429 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -70.07 165.05 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.03 75.09 0.2 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.441 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 74.3 mt -101.83 -33.71 9.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -101.46 178.21 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.29 -84.29 1.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.628 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.21 126.95 10.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.053 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.4 m -93.61 143.46 26.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.602 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -138.15 -62.37 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.21 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 29.7 p -154.35 118.52 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.391 . . . . 0.0 111.199 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -169.8 143.97 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.668 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.81 44.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.437 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.55 HG12 ' HE2' ' A' ' 34' ' ' PHE . 3.7 m -97.57 85.31 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.955 0.407 . . . . 0.0 110.843 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' B' ' 25' ' ' THR . 29.1 t70 -101.85 144.33 30.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.641 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.5 -43.0 55.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.284 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.56 69.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.591 ' O ' HG23 ' B' ' 29' ' ' VAL . 88.3 m -62.08 -39.47 92.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.054 0.454 . . . . 0.0 110.421 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.62 ' O ' HG23 ' B' ' 30' ' ' VAL . 16.9 t80 -67.9 -50.42 56.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.805 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -53.8 -54.46 38.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.335 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -65.95 -50.33 64.73 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.648 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 56.1 t -62.93 -42.25 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 26' ' ' PHE . 57.3 t -70.55 -45.93 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.2 -45.99 89.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.986 0.422 . . . . 0.0 110.445 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.53 -46.9 86.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.216 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.652 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.6 t80 -67.13 -45.98 75.5 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.758 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 35.3 m-85 -74.96 -34.72 62.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -55.33 -31.65 61.88 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.042 0.449 . . . . 0.0 110.899 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.13 -17.69 58.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.023 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' B' ' 39' ' ' VAL . 17.8 p30 -105.43 -21.64 13.18 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.01 14.41 1.84 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.284 -0.96 . . . . 0.0 114.161 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.662 HG23 ' OD1' ' B' ' 37' ' ' ASN . 30.5 t -89.0 143.31 11.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 117.622 0.711 . . . . 0.0 110.554 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.63 178.87 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.03 -144.9 17.55 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.416 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -148.92 156.13 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.75 118.14 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.159 0.504 . . . . 0.0 111.222 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 60.5 p -110.97 141.31 44.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.412 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -69.85 144.15 52.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.864 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.46 159.15 34.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.956 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.29 129.15 38.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.434 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.57 142.42 33.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.115 0.483 . . . . 0.0 111.859 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -136.44 156.61 48.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.511 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -124.36 119.72 30.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.981 0.42 . . . . 0.0 111.385 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -106.5 132.05 52.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.402 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -80.47 117.33 21.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.27 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 84.8 m -91.53 124.01 35.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.468 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.436 HG12 ' N ' ' B' ' 55' ' ' THR . 8.6 t -71.91 156.93 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.968 0.413 . . . . 0.0 111.146 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.436 ' N ' HG12 ' B' ' 54' ' ' VAL . 70.3 m -150.25 -69.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.759 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.992 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.428 ' HA ' ' HE3' ' C' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.709 0.29 . . . . 0.0 111.167 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.18 123.14 31.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 36.1 m-85 -108.73 129.53 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.326 0.584 . . . . 0.0 112.073 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.19 125.58 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.593 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.513 HG12 HD12 ' C' ' 7' ' ' LEU . 17.2 t -142.31 125.56 14.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.309 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.1 mt -93.59 124.46 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.434 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.741 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp -134.66 113.51 11.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.079 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -153.16 -64.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.14 -54.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.123 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt 59.36 172.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.184 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p 54.2 98.83 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.308 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.59 74.66 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -143.17 -171.95 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.689 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.15 -103.48 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.424 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 60.3 179.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 111.07 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -60.1 150.05 30.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.19 -177.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.979 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p 59.02 -177.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 19.4 pm0 -129.32 168.47 16.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.784 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' D' ' 37' ' ' ASN . . . -102.19 -46.66 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.093 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.545 HG12 ' HE2' ' D' ' 34' ' ' PHE . 3.5 m -98.06 85.47 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.771 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.9 t70 -101.69 144.39 30.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.406 0.622 . . . . 0.0 111.603 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.63 -42.93 56.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.246 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -29.53 68.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.607 ' O ' HG23 ' C' ' 29' ' ' VAL . 90.0 m -62.14 -39.43 92.56 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.048 0.452 . . . . 0.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.631 ' O ' HG23 ' C' ' 30' ' ' VAL . 16.8 t80 -67.78 -50.5 56.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.832 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -53.72 -54.63 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.283 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.74 -50.49 64.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 55.3 t -62.94 -42.21 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.631 HG23 ' O ' ' C' ' 26' ' ' PHE . 57.3 t -70.5 -45.98 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -63.17 -46.05 88.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.087 0.47 . . . . 0.0 110.439 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.54 -46.96 85.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.21 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.651 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.6 t80 -67.07 -45.81 76.19 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.755 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 35.5 m-85 -75.07 -34.71 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -55.27 -31.73 61.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.024 0.44 . . . . 0.0 110.902 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.18 -17.52 58.33 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.994 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.675 ' OD1' HG23 ' C' ' 39' ' ' VAL . 17.9 p30 -105.52 -21.61 13.17 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.0 14.41 1.84 Allowed Glycine 0 CA--C 1.523 0.542 0 C-N-CA 120.323 -0.942 . . . . 0.0 114.178 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.675 HG23 ' OD1' ' C' ' 37' ' ' ASN . 31.7 t -89.03 143.27 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 117.614 0.707 . . . . 0.0 110.52 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.51 179.1 9.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.03 0.443 . . . . 0.0 111.086 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.89 -144.72 17.53 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.364 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -149.01 156.2 41.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.85 118.12 16.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.163 0.506 . . . . 0.0 111.214 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.6 p -110.99 141.29 44.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.499 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -69.82 144.04 52.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.833 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.36 159.25 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.33 129.16 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.499 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.53 142.48 33.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.112 0.482 . . . . 0.0 111.803 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -136.53 156.56 48.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.541 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -124.34 119.71 30.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.034 0.445 . . . . 0.0 111.461 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 44.7 m -106.37 131.95 52.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.388 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -80.45 117.27 21.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.264 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -91.45 124.0 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.411 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.436 HG12 ' N ' ' C' ' 55' ' ' THR . 8.9 t -71.97 156.88 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 0.0 111.151 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.436 ' N ' HG12 ' C' ' 54' ' ' VAL . 71.1 m -150.18 -69.38 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.781 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.075 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.758 0.313 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -87.12 123.06 31.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.682 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.417 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.0 m-85 -108.61 129.43 55.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.234 0.54 . . . . 0.0 112.119 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -106.17 125.78 51.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.598 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.511 HG12 HD12 ' D' ' 7' ' ' LEU . 17.2 t -142.41 125.52 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.258 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.49 124.48 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.506 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.755 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.1 mp -134.73 113.48 11.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.111 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -152.96 -64.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.47 . . . . 0.0 110.954 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.74 101.61 0.17 Allowed Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -59.49 154.23 17.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.006 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.94 145.76 42.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.038 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.473 HD23 ' N ' ' D' ' 13' ' ' LYS . 2.8 tt -148.06 141.55 25.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.806 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 13' ' ' LYS . . . . . 0.473 ' N ' HD23 ' D' ' 12' ' ' LEU . 1.6 ptpp? -66.73 89.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.42 -124.49 1.0 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.439 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 166.32 22.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.674 0.273 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 8.5 t -85.1 140.86 30.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 36.4 p -74.0 174.84 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 3.9 t -133.21 34.76 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.746 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 63.01 127.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.74 -63.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.563 HG12 ' HE2' ' C' ' 34' ' ' PHE . 3.7 m -98.46 85.73 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.044 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' D' ' 25' ' ' THR . 29.1 t70 -102.05 144.44 30.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.473 0.654 . . . . 0.0 111.503 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.65 -42.9 56.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.241 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.57 -29.59 68.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.607 ' O ' HG23 ' D' ' 29' ' ' VAL . 86.8 m -62.15 -39.27 92.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.43 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' D' ' 30' ' ' VAL . 17.0 t80 -67.98 -50.39 55.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.811 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.71 -54.63 35.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.276 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.95 -50.35 64.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.651 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 55.8 t -62.95 -42.23 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.635 HG23 ' O ' ' D' ' 26' ' ' PHE . 57.6 t -70.49 -45.91 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.22 -46.04 88.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.008 0.432 . . . . 0.0 110.386 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.58 -46.85 86.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.238 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.6 t80 -67.08 -45.91 75.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.741 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 35.6 m-85 -75.13 -34.53 61.67 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -55.4 -31.65 62.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.1 0.476 . . . . 0.0 110.966 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.15 -17.63 58.5 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.003 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.669 ' OD1' HG23 ' D' ' 39' ' ' VAL . 17.9 p30 -105.53 -21.55 13.19 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.85 14.54 1.85 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.33 -0.938 . . . . 0.0 114.234 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.669 HG23 ' OD1' ' D' ' 37' ' ' ASN . 31.4 t -89.11 143.31 11.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 117.541 0.671 . . . . 0.0 110.505 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.59 178.93 9.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.02 -144.95 17.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.295 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -148.92 156.15 41.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.89 118.2 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.231 0.539 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 60.9 p -110.99 141.26 44.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.5 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -69.78 144.03 52.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.923 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 159.25 34.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.36 128.98 38.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.47 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.29 142.3 32.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.897 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -136.46 156.6 48.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.537 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -124.25 119.72 30.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 111.458 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 44.7 m -106.42 132.07 52.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.389 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -80.54 117.35 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -91.48 124.0 35.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.472 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.435 HG12 ' N ' ' D' ' 55' ' ' THR . 8.7 t -71.89 156.95 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.937 0.399 . . . . 0.0 111.144 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.435 ' N ' HG12 ' D' ' 54' ' ' VAL . 70.9 m -150.33 -69.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.803 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.97 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.859 0.362 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -88.86 124.55 34.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.804 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.67 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 42.4 m-85 -112.8 132.11 55.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.405 0.621 . . . . 0.0 112.355 -179.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -106.36 128.39 53.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.91 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.34 124.09 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.933 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' B' ' 1' ' ' MET . 34.5 mt -96.95 117.19 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.871 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.4 OUTLIER -114.02 123.02 48.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.0 178.807 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -155.33 107.96 2.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.814 0.34 . . . . 0.0 110.716 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.97 97.49 0.65 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt 59.71 175.36 0.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.8 m -150.71 97.78 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.2 mt -128.63 164.53 22.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.738 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -101.14 84.42 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.06 -87.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.59 124.43 31.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.343 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -83.13 66.04 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -75.29 175.98 7.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.689 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -154.93 160.98 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 40.9 mt-10 -147.43 76.27 1.4 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.487 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . 79.25 -56.29 0.42 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.033 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.417 HG13 ' HG ' ' A' ' 7' ' ' LEU . 6.2 t -73.28 62.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.123 0.487 . . . . 0.0 111.652 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.2 t70 -103.31 144.48 31.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.653 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.695 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -51.29 -43.66 61.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.374 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -30.41 70.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.195 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 29' ' ' VAL . 27.2 m -62.09 -36.45 81.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.049 0.452 . . . . 0.0 110.224 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.684 ' O ' HG23 ' A' ' 30' ' ' VAL . 37.3 t80 -67.09 -47.66 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.692 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.98 -51.03 70.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.008 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -67.27 -48.89 66.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 25' ' ' THR . 59.3 t -62.13 -40.71 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 26' ' ' PHE . 60.6 t -71.87 -45.56 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -62.63 -46.11 89.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.014 0.435 . . . . 0.0 110.764 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -63.09 -45.84 90.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.355 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.5 t80 -68.03 -46.58 70.8 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.686 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 39.7 m-85 -75.02 -30.93 61.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -56.62 -30.56 63.4 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 111.194 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.2 -17.88 59.47 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.274 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.7 p30 -106.27 -21.09 13.2 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.49 13.31 1.88 Allowed Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.26 -0.971 . . . . 0.0 114.084 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.655 HG23 ' OD1' ' A' ' 37' ' ' ASN . 24.3 t -88.73 143.39 11.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 117.611 0.706 . . . . 0.0 110.546 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -157.96 -178.98 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.084 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.24 -145.07 17.52 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.216 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -148.34 155.3 41.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -74.26 115.29 13.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.22 142.19 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.441 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.35 144.79 51.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.877 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.37 158.8 35.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.07 129.97 41.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.55 141.18 32.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.065 0.46 . . . . 0.0 112.128 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -138.6 156.66 47.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.577 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -126.03 123.32 38.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 111.245 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.2 m -107.74 134.21 51.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.434 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.59 116.43 20.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.26 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.3 m -90.77 122.73 33.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.329 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -71.46 155.64 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 111.229 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 m -149.88 -69.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.886 -179.811 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 6.6 tpt . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -88.7 124.53 34.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.819 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.695 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 41.9 m-85 -112.82 132.06 55.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.389 0.614 . . . . 0.0 112.461 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -106.42 128.4 54.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.96 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.19 124.1 13.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.932 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 35.7 mt -96.84 117.17 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.839 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.686 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -113.82 123.2 49.24 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.017 178.758 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -154.98 109.79 3.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.7 86.65 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.779 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 158.3 43.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.708 0.29 . . . . 0.0 110.742 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 53.9 p 52.09 92.67 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.359 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.551 HD23 ' N ' ' B' ' 13' ' ' LYS . 3.4 tt -162.96 148.82 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.551 ' N ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -132.08 120.58 22.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.04 64.27 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -72.87 123.15 22.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 111.126 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 8.4 m -88.62 -57.47 2.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.735 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -147.53 -50.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -141.35 168.98 18.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -76.65 147.7 37.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.86 -66.71 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.425 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.417 HG13 ' HG ' ' B' ' 7' ' ' LEU . 6.7 t -72.69 62.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.454 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.463 ' O ' ' HB ' ' B' ' 25' ' ' THR . 12.6 t70 -103.43 144.59 31.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.549 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.67 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.43 -43.28 61.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.291 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.49 70.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.176 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.653 ' O ' HG23 ' B' ' 29' ' ' VAL . 26.0 m -62.14 -36.26 81.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.206 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.69 ' O ' HG23 ' B' ' 30' ' ' VAL . 37.8 t80 -67.23 -47.68 70.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.719 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.96 -51.14 70.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.951 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -67.08 -48.79 67.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 25' ' ' THR . 60.4 t -62.24 -40.6 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 26' ' ' PHE . 61.3 t -71.92 -45.49 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -62.74 -45.93 90.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 110.734 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.38 -45.73 89.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.228 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.5 t80 -68.06 -46.54 70.79 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.665 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 39.9 m-85 -75.08 -31.02 61.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -56.65 -30.53 63.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.256 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -62.33 -17.66 59.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.261 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.661 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.6 p30 -106.32 -21.11 13.19 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.28 13.28 1.93 Allowed Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.32 -0.943 . . . . 0.0 114.252 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.661 HG23 ' OD1' ' B' ' 37' ' ' ASN . 24.5 t -88.74 143.29 11.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 117.535 0.668 . . . . 0.0 110.611 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -157.89 -179.16 7.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 111.095 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.44 -144.8 17.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.148 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -148.59 155.29 40.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -74.31 115.43 13.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.165 0.507 . . . . 0.0 111.19 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 31.1 p -110.35 142.01 42.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.472 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.28 144.57 51.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.839 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.22 158.86 35.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.1 130.15 42.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.686 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.59 141.05 33.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.085 0.469 . . . . 0.0 112.093 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -138.41 156.55 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.425 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -126.09 123.44 38.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 0.0 111.2 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 31.3 m -107.95 134.37 50.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.45 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.65 116.54 20.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.255 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 86.2 m -90.99 122.46 33.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.353 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.403 HG12 ' N ' ' B' ' 55' ' ' THR . 4.9 t -71.25 155.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.871 0.367 . . . . 0.0 111.24 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.403 ' N ' HG12 ' B' ' 54' ' ' VAL . 61.8 m -149.92 -69.67 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.923 -179.876 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.829 0.347 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -88.83 124.56 34.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.673 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 42.4 m-85 -112.83 132.26 55.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.411 0.625 . . . . 0.0 112.443 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -106.42 128.33 53.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.973 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.24 124.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.006 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -97.15 117.19 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.926 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.698 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.4 OUTLIER -113.89 123.16 49.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.97 178.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -155.04 109.62 2.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.756 0.313 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.07 68.59 3.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.396 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -154.83 137.38 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.41 108.34 7.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tt -84.45 -36.07 22.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.633 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -136.87 118.29 14.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.655 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.21 -41.35 0.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 57.71 31.79 20.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -76.59 -41.14 47.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 9.9 p 56.57 -175.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.212 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 10.1 p 50.37 35.52 11.04 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.652 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -125.54 123.65 39.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.04 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.2 -86.39 0.27 Allowed 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.464 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.475 HG13 ' HG ' ' C' ' 7' ' ' LEU . 16.6 t 50.14 68.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-O 121.126 0.489 . . . . 0.0 111.251 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.467 ' O ' ' HB ' ' C' ' 25' ' ' THR . 12.0 t70 -102.86 144.15 31.55 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.528 0.68 . . . . 0.0 112.439 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.655 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -51.88 -43.65 63.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.423 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -30.48 70.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.659 ' O ' HG23 ' C' ' 29' ' ' VAL . 25.7 m -62.18 -36.17 81.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.212 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.673 ' O ' HG23 ' C' ' 30' ' ' VAL . 38.4 t80 -67.16 -47.84 69.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.669 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.92 -51.17 70.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.931 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -66.96 -48.9 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.659 HG23 ' O ' ' C' ' 25' ' ' THR . 60.3 t -62.22 -40.57 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.673 HG23 ' O ' ' C' ' 26' ' ' PHE . 60.5 t -72.08 -45.48 62.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -62.73 -46.04 89.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 0.0 110.661 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.27 -45.91 89.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.317 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.501 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.5 t80 -67.94 -46.54 71.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.706 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 39.9 m-85 -75.02 -31.06 61.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -56.57 -30.52 63.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 111.2 178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.22 -17.88 59.52 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.306 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.664 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.7 p30 -106.22 -20.93 13.25 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.15 13.42 1.94 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.293 -0.956 . . . . 0.0 114.216 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.664 HG23 ' OD1' ' C' ' 37' ' ' ASN . 23.7 t -88.84 143.29 11.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.551 0.676 . . . . 0.0 110.678 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -158.05 -179.34 8.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.946 0.403 . . . . 0.0 111.192 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.83 -144.89 17.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.144 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -148.24 155.23 41.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.374 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.32 115.27 13.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.231 0.538 . . . . 0.0 111.193 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.23 142.14 42.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.403 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.31 144.61 51.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.868 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.18 158.9 35.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.99 129.92 41.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.716 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.23 140.8 31.58 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.009 0.433 . . . . 0.0 111.947 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -138.5 156.57 47.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.57 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -126.32 123.19 37.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.013 0.435 . . . . 0.0 111.325 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -107.54 134.46 50.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.486 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.57 116.35 20.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -90.81 122.58 33.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.327 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.403 HG12 ' N ' ' C' ' 55' ' ' THR . 4.8 t -71.46 156.03 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.959 0.409 . . . . 0.0 111.193 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.403 ' N ' HG12 ' C' ' 54' ' ' VAL . 64.8 m -150.28 -69.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.002 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.932 -179.753 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -88.63 124.53 34.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.592 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.655 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 42.2 m-85 -112.82 132.27 55.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.46 0.648 . . . . 0.0 112.504 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -106.37 128.38 53.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.953 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.33 124.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 34.2 mt -97.02 117.18 41.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.856 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.706 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.4 OUTLIER -113.98 122.99 48.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 178.785 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -154.18 107.97 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.39 50.86 0.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.516 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -86.35 78.39 9.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 27.5 p -78.9 135.62 37.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 mt -136.26 138.57 41.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.953 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.19 87.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.44 174.92 1.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.338 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -154.47 -178.94 7.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.004 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 56.1 m -111.91 -68.24 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 3.2 p -113.29 -178.5 3.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 7.2 p -101.33 120.28 40.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.53 163.45 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.37 28.09 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.306 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.412 HG13 ' HG ' ' D' ' 7' ' ' LEU . 6.6 t -76.37 62.22 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 121.061 0.457 . . . . 0.0 111.513 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.468 ' O ' ' HB ' ' D' ' 25' ' ' THR . 12.8 t70 -103.27 144.58 31.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.328 0.585 . . . . 0.0 111.607 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.673 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -51.38 -43.52 61.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.317 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.26 -30.65 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.652 ' O ' HG23 ' D' ' 29' ' ' VAL . 26.6 m -62.04 -36.3 81.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.186 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.679 ' O ' HG23 ' D' ' 30' ' ' VAL . 36.8 t80 -67.12 -47.89 69.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.663 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.78 -51.24 69.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.924 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -67.13 -48.82 66.94 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.652 HG23 ' O ' ' D' ' 25' ' ' THR . 61.7 t -62.27 -40.67 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.679 HG23 ' O ' ' D' ' 26' ' ' PHE . 60.7 t -71.84 -45.75 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -62.47 -46.05 90.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.985 0.421 . . . . 0.0 110.764 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.32 -45.74 89.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.295 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.6 t80 -68.11 -46.57 70.55 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.698 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 40.4 m-85 -75.02 -30.97 61.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -56.64 -30.49 63.38 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.267 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.28 -17.8 59.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.273 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.7 p30 -106.28 -21.06 13.21 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.36 13.37 1.9 Allowed Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.296 -0.954 . . . . 0.0 114.231 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.655 HG23 ' OD1' ' D' ' 37' ' ' ASN . 24.0 t -88.83 143.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 117.587 0.693 . . . . 0.0 110.601 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -158.0 -179.33 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.16 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 -144.98 17.34 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.18 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -148.27 155.27 41.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.41 . . . . 0.0 110.922 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.29 115.45 13.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.46 142.22 42.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.44 144.75 51.39 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.915 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.29 158.75 35.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.9 130.03 41.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.478 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.74 141.3 33.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.111 0.482 . . . . 0.0 112.07 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -138.52 156.67 47.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -126.2 123.48 38.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 111.334 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 30.8 m -107.87 134.22 51.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.473 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.47 116.35 20.47 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -90.81 122.5 33.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.281 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.27 155.55 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 0.0 111.111 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.1 m -149.71 -69.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.03 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.865 -179.838 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.812 0.339 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -88.06 123.41 32.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.554 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 39.1 m-85 -108.27 127.89 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.279 0.562 . . . . 0.0 111.823 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.65 125.44 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.688 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.19 127.27 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.575 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.2 mt -93.88 119.05 41.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.808 HD11 ' CE1' ' B' ' 34' ' ' PHE . 4.5 tp -134.29 115.67 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -150.94 -63.54 0.19 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.97 -74.6 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.696 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.4 tttm 61.64 84.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.832 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 p -80.71 145.38 31.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.012 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.5 mt -85.54 -32.28 22.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.795 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 tptt 59.76 42.42 16.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.951 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.02 -84.62 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.41 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.16 -177.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 m -115.96 97.03 5.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.971 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 m -155.4 -56.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.754 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.9 p 54.79 106.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.52 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.87 -177.74 0.65 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.778 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.81 43.69 1.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.582 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 21' ' ' VAL . 6.0 m -91.85 88.06 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.506 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' A' ' 25' ' ' THR . 28.3 t0 -102.5 142.33 33.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.319 0.58 . . . . 0.0 112.022 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.557 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -54.25 -41.2 68.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.133 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.13 -32.74 74.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.78 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.685 ' O ' HG23 ' A' ' 29' ' ' VAL . 22.3 m -62.9 -35.89 81.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.049 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.735 ' O ' HG23 ' A' ' 30' ' ' VAL . 27.6 t80 -65.14 -50.2 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.92 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.18 -50.53 70.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.176 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -67.27 -47.94 69.17 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.697 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 64.1 t -62.16 -40.46 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.0 t -69.73 -45.27 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -64.62 -45.59 86.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.641 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -64.07 -44.24 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.159 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.68 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.47 -47.25 70.63 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.786 ' CE1' HD11 ' B' ' 7' ' ' LEU . 36.8 m-85 -77.32 -32.03 54.97 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -53.76 -30.64 45.36 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.967 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.93 -18.47 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.639 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.578 ' HB3' ' HB1' ' B' ' 20' ' ' ALA . 4.1 m120 -101.54 -20.4 15.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.798 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.7 16.73 2.98 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.319 -0.943 . . . . 0.0 113.272 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 34' ' ' PHE . 31.9 t -88.38 143.35 11.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.92 0.36 . . . . 0.0 110.45 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -155.88 -178.95 7.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.988 0.423 . . . . 0.0 111.237 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.23 -144.86 18.26 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.316 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -148.91 156.31 42.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -72.34 122.5 21.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.6 p -114.79 138.61 50.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.593 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -71.46 142.21 50.21 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.641 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.19 159.24 35.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.83 135.16 53.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.75 140.7 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.686 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.85 156.41 48.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.765 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -120.31 146.43 46.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.995 0.426 . . . . 0.0 110.977 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -138.59 129.42 26.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.26 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -81.36 121.2 25.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.411 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -94.78 124.34 38.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.226 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 55' ' ' THR . 6.6 t -70.82 156.49 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 111.09 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.413 ' N ' HG12 ' A' ' 54' ' ' VAL . 61.9 m -149.3 -69.34 0.21 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.011 179.882 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.83 0.347 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -87.97 123.39 32.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.561 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.557 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 39.1 m-85 -108.26 127.87 54.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.132 0.491 . . . . 0.0 111.917 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.61 125.43 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.71 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.18 127.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.479 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 35.2 mt -93.96 118.9 40.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.901 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.786 HD11 ' CE1' ' A' ' 34' ' ' PHE . 4.5 tp -134.27 115.26 13.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.979 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -151.6 -63.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.55 57.64 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.264 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -97.85 107.0 19.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.6 m -136.33 135.96 39.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.783 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.3 mt -87.38 -39.27 15.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.076 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -175.18 123.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.19 -58.46 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.474 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 60.41 50.53 5.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 t -91.18 118.55 30.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.0 p 55.31 -170.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.197 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.1 p -91.5 101.38 14.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 60.32 107.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.996 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.578 ' HB1' ' HB3' ' A' ' 37' ' ' ASN . . . -75.59 -60.98 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.907 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 21' ' ' VAL . 6.6 m -95.63 88.28 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.849 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.447 ' O ' ' HB ' ' B' ' 25' ' ' THR . 28.1 t0 -102.48 142.26 33.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.345 0.593 . . . . 0.0 111.996 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.554 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -54.19 -41.18 68.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.191 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.15 -32.64 74.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.69 ' O ' HG23 ' B' ' 29' ' ' VAL . 22.7 m -62.94 -35.85 81.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.034 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.732 ' O ' HG23 ' B' ' 30' ' ' VAL . 27.4 t80 -65.14 -50.25 66.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.96 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.29 -50.45 71.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.075 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -67.38 -47.91 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 25' ' ' THR . 63.9 t -62.08 -40.51 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 26' ' ' PHE . 62.1 t -69.69 -45.51 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -64.54 -45.48 86.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.923 0.392 . . . . 0.0 110.684 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -64.02 -44.28 93.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.697 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.8 t80 -67.42 -47.34 70.54 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.808 ' CE1' HD11 ' A' ' 7' ' ' LEU . 36.7 m-85 -77.3 -31.97 55.09 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -53.8 -30.61 45.66 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.985 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.02 -18.4 60.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.571 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -101.52 -20.56 15.04 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.74 16.78 2.96 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.344 -0.931 . . . . 0.0 113.28 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' B' ' 34' ' ' PHE . 30.5 t -88.35 143.25 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.934 0.367 . . . . 0.0 110.567 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -155.82 -178.77 7.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.103 0.478 . . . . 0.0 111.224 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.03 -145.0 18.37 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.41 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -148.75 156.17 41.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.9 0.381 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.25 122.47 21.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -114.73 138.61 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.585 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -71.42 142.3 50.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.645 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.26 159.07 35.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.771 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.8 135.2 53.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.727 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.83 140.59 41.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.695 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.71 156.39 48.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.82 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -120.19 146.42 46.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.41 . . . . 0.0 111.061 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 16.6 m -138.56 129.36 26.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.265 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -81.35 121.19 25.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.412 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -94.62 124.33 38.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.234 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.421 HG12 ' N ' ' B' ' 55' ' ' THR . 6.7 t -70.87 156.53 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 111.093 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.421 ' N ' HG12 ' B' ' 54' ' ' VAL . 63.1 m -149.32 -69.53 0.21 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.009 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -88.01 123.42 32.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.566 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 39.2 m-85 -108.2 127.78 54.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.162 0.506 . . . . 0.0 111.902 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.62 125.35 50.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.679 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.16 127.38 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.479 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 35.1 mt -93.85 118.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.805 HD11 ' CE1' ' D' ' 34' ' ' PHE . 4.5 tp -134.24 115.3 13.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.849 0.357 . . . . 0.0 111.012 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -151.68 -61.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.623 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.26 108.04 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.676 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.86 148.63 50.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.834 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.8 p -62.19 177.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt -111.54 35.39 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttt 45.23 39.89 4.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.608 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.3 -48.78 0.11 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.236 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -94.83 79.09 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' THR . . . . . 0.485 HG23 ' O ' ' C' ' 16' ' ' THR . 9.7 t -60.74 112.87 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.268 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -116.43 153.44 32.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.667 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 18.5 p -60.68 169.17 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -80.66 127.49 32.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' D' ' 37' ' ' ASN . . . -119.72 -73.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.453 HG23 ' O ' ' C' ' 21' ' ' VAL . 8.9 m -94.32 87.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.334 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.0 t0 -102.53 142.38 33.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.338 0.589 . . . . 0.0 111.81 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.562 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -54.33 -41.13 68.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.119 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.65 74.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.673 ' O ' HG23 ' C' ' 29' ' ' VAL . 22.6 m -62.86 -35.9 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.064 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.737 ' O ' HG23 ' C' ' 30' ' ' VAL . 27.5 t80 -65.12 -50.36 66.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.844 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.18 -50.51 71.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.131 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -67.32 -47.95 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.686 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 64.4 t -62.09 -40.48 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.737 HG23 ' O ' ' C' ' 26' ' ' PHE . 61.5 t -69.67 -45.46 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -64.55 -45.62 86.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.626 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.97 -44.27 93.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.183 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.682 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.8 t80 -67.4 -47.3 70.7 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.807 ' CE1' HD11 ' D' ' 7' ' ' LEU . 37.0 m-85 -77.39 -31.9 54.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -53.76 -30.74 45.76 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.994 178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.94 -18.45 60.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.605 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -101.47 -20.54 15.07 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.73 16.73 2.97 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.279 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' C' ' 34' ' ' PHE . 30.6 t -88.26 143.3 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.902 0.351 . . . . 0.0 110.507 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -155.86 -178.8 7.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.065 0.459 . . . . 0.0 111.288 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.09 -145.01 18.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.348 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.74 156.19 42.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.26 122.51 21.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.189 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.6 p -114.77 138.57 50.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.529 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.38 142.24 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.611 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.25 159.26 34.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.05 135.29 53.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.674 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.88 140.71 41.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.796 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.83 156.37 48.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.752 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -120.1 146.5 45.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 111.089 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -138.63 129.37 26.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.208 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -81.35 121.26 25.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.454 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 92.4 m -94.84 124.3 38.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.31 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.417 HG12 ' N ' ' C' ' 55' ' ' THR . 6.6 t -70.72 156.46 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.92 0.391 . . . . 0.0 111.061 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.417 ' N ' HG12 ' C' ' 54' ' ' VAL . 62.5 m -149.27 -69.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.957 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -87.97 123.42 32.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.562 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 39.3 m-85 -108.34 127.78 54.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.296 0.57 . . . . 0.0 111.871 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.59 125.44 51.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.671 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.15 127.21 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.56 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 35.3 mt -93.85 119.03 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.807 HD11 ' CE1' ' C' ' 34' ' ' PHE . 4.5 tp -134.32 115.45 14.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.974 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -151.61 -64.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.725 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.27 -74.82 0.83 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.677 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -97.8 158.96 15.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 2.9 t -165.28 134.84 3.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt 63.48 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -74.52 -173.4 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.9 -143.26 3.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.601 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.88 32.92 20.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -97.97 124.37 42.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 6.3 m -87.44 -43.26 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -82.5 172.86 12.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 60.75 110.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.957 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.47 29.53 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.299 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.451 ' O ' HG23 ' D' ' 21' ' ' VAL . 8.1 m -93.08 86.95 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.81 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' D' ' 25' ' ' THR . 27.8 t0 -102.59 142.37 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.291 0.567 . . . . 0.0 111.787 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.566 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -54.26 -41.1 68.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.125 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.14 -32.77 74.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.048 0.452 . . . . 0.0 110.91 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.673 ' O ' HG23 ' D' ' 29' ' ' VAL . 22.6 m -62.82 -35.87 81.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.03 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.753 ' O ' HG23 ' D' ' 30' ' ' VAL . 27.7 t80 -65.18 -50.27 66.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.864 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -56.31 -50.4 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.844 -0.617 . . . . 0.0 112.118 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -67.28 -48.1 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.682 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 64.5 t -62.11 -40.34 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.753 HG23 ' O ' ' D' ' 26' ' ' PHE . 62.1 t -69.84 -45.37 77.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -64.52 -45.66 86.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.972 0.415 . . . . 0.0 110.569 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.98 -44.28 93.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.162 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.686 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.8 t80 -67.39 -47.29 70.77 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.805 ' CE1' HD11 ' C' ' 7' ' ' LEU . 36.9 m-85 -77.35 -31.94 54.77 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -53.85 -30.7 46.69 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.941 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.96 -18.34 60.06 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.656 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.44 ' HB3' ' HB1' ' C' ' 20' ' ' ALA . 4.0 m120 -101.62 -20.4 15.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.784 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.63 16.8 2.99 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.299 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.422 HG21 ' HB3' ' D' ' 34' ' ' PHE . 32.4 t -88.43 143.32 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.933 0.367 . . . . 0.0 110.527 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -155.85 -178.85 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.015 0.436 . . . . 0.0 111.334 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.09 -144.91 18.32 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.401 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -148.85 156.22 42.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -72.29 122.53 21.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.6 p -114.78 138.61 50.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -71.42 142.2 50.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.639 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.25 159.23 34.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.9 135.31 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.736 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.96 140.74 42.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.765 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 8.9 m -133.86 156.32 48.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.756 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -120.1 146.4 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -138.54 129.39 26.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.28 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.3 121.23 25.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.507 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.0 m -94.68 124.39 38.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.331 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.417 HG12 ' N ' ' D' ' 55' ' ' THR . 6.7 t -70.88 156.51 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.387 . . . . 0.0 111.003 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.417 ' N ' HG12 ' D' ' 54' ' ' VAL . 62.2 m -149.33 -69.38 0.21 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.974 179.824 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -88.07 123.09 32.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.212 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.425 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.2 m-85 -108.87 130.16 55.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.325 0.583 . . . . 0.0 112.143 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -106.57 129.12 54.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 7' ' ' LEU . 14.1 t -142.38 127.4 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -95.16 123.57 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.234 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.762 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp -134.65 112.44 10.81 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -157.51 115.45 3.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.689 0.281 . . . . 0.0 111.114 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.86 94.59 1.45 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.615 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -96.62 95.14 7.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 110.804 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 t -158.8 147.3 18.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.95 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 12' ' ' LEU . 3.0 pp -155.52 39.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -147.06 137.51 23.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.78 178.86 33.53 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.635 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 16' ' ' THR . 3.6 mt-10 -118.37 141.23 48.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.904 0.383 . . . . 0.0 111.346 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 15' ' ' GLU . 14.9 t 43.41 36.24 1.08 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.333 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 18' ' ' THR . 12.0 m -63.57 -67.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.839 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 17' ' ' THR . 14.6 t 46.06 -173.06 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.071 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 60.6 89.4 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.93 63.4 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 111.359 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.564 HG12 ' HE2' ' B' ' 34' ' ' PHE . 4.4 m 42.92 84.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.473 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 25' ' ' THR . 36.1 t70 -101.41 144.59 30.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.978 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.74 -43.06 57.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.176 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.68 -28.79 67.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.293 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.8 m -62.56 -38.5 90.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.764 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 30' ' ' VAL . 16.5 t80 -68.85 -45.27 71.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.673 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 1.5 tt0 -56.21 -55.53 32.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.202 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -67.14 -48.53 67.77 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.641 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 58.4 t -63.29 -42.5 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 26' ' ' PHE . 59.5 t -70.74 -45.73 72.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -63.55 -45.73 89.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 110.619 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -63.13 -45.53 91.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.9 t80 -67.65 -46.41 72.52 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.742 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 36.6 m-85 -75.85 -34.79 60.07 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.17 -32.07 54.46 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.98 0.419 . . . . 0.0 111.119 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -61.62 -17.72 56.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.036 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.63 ' OD1' HG23 ' A' ' 39' ' ' VAL . 16.5 p30 -105.76 -21.41 13.18 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.47 13.34 1.89 Allowed Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.116 -1.04 . . . . 0.0 114.232 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.63 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.0 t -89.69 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.46 0.63 . . . . 0.0 110.907 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -158.46 -177.37 6.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.389 . . . . 0.0 111.271 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.03 -145.15 18.4 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.303 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -147.46 154.69 41.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.951 0.405 . . . . 0.0 111.094 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 95.2 m95 -73.17 117.94 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.31 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.1 p -110.64 141.66 43.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.348 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.09 143.22 52.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.48 160.26 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -66.38 126.06 27.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 144.84 28.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.867 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -140.01 156.36 46.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.45 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -124.58 119.01 27.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.03 0.443 . . . . 0.0 111.307 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.5 m -104.06 132.56 50.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.18 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.35 114.73 20.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.231 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.4 m -86.88 123.16 31.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.466 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.2 155.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 111.073 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 m -149.49 -69.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.888 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.854 0.359 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.24 123.17 32.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.094 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -109.15 130.22 55.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.29 0.567 . . . . 0.0 112.049 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -106.61 129.38 54.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.546 HG12 HD12 ' B' ' 7' ' ' LEU . 14.3 t -142.3 127.26 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 28.8 mt -95.12 123.15 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.314 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.742 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.2 mp -134.58 112.41 10.84 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -155.32 111.05 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.13 98.33 0.37 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.423 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -162.18 106.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t -164.43 158.52 18.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mt -122.41 117.8 26.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.645 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -151.42 175.19 12.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.91 -33.69 75.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.154 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -88.15 132.23 34.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.633 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 14.8 m -142.03 95.0 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.8 m -126.17 -66.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.6 t -140.21 170.48 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -87.23 160.82 18.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 37' ' ' ASN . . . -107.37 -73.69 0.68 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.001 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.612 HG12 ' HE2' ' A' ' 34' ' ' PHE . 6.3 m -89.35 81.09 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.099 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' B' ' 25' ' ' THR . 36.2 t70 -102.14 144.9 30.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.218 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.31 -43.01 53.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.233 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.77 -28.87 67.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.352 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.58 ' O ' HG23 ' B' ' 29' ' ' VAL . 91.2 m -62.37 -38.78 90.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.796 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.608 ' O ' HG23 ' B' ' 30' ' ' VAL . 16.8 t80 -68.62 -45.23 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.7 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 1.5 tt0 -56.31 -55.28 35.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.217 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.3 -48.5 67.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.633 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 58.5 t -63.32 -42.67 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 26' ' ' PHE . 59.1 t -70.59 -45.95 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -63.37 -45.63 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.684 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.21 -45.54 91.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.224 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.641 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.0 t80 -67.63 -46.38 72.65 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.762 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 36.7 m-85 -75.83 -34.84 60.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -54.15 -31.96 53.99 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.96 0.409 . . . . 0.0 111.185 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -61.79 -17.62 56.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.053 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.634 ' OD1' HG23 ' B' ' 39' ' ' VAL . 16.4 p30 -105.72 -21.35 13.2 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.4 13.38 1.89 Allowed Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.063 -1.065 . . . . 0.0 114.246 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.634 HG23 ' OD1' ' B' ' 37' ' ' ASN . 22.3 t -89.82 143.37 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 117.437 0.619 . . . . 0.0 110.886 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -158.47 -177.04 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 111.25 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.75 -145.17 18.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.44 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -147.33 154.77 41.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.432 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 95.0 m95 -73.45 118.04 15.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.351 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 64.6 p -110.74 141.74 43.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.264 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.16 143.4 52.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.72 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.69 160.09 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.012 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -66.35 126.08 27.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.3 145.22 27.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.918 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 22.3 m -140.18 156.46 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.523 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -124.61 119.07 27.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.033 0.444 . . . . 0.0 111.339 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 31.7 m -104.01 132.46 50.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.169 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -81.25 114.76 20.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.224 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.0 m -86.83 123.01 31.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.43 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.2 155.63 7.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.882 0.373 . . . . 0.0 111.106 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 m -149.34 -69.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.004 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.23 123.19 32.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.183 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.436 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.1 m-85 -108.99 130.23 55.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.366 0.603 . . . . 0.0 112.029 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -106.57 129.02 54.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.541 HG12 HD12 ' C' ' 7' ' ' LEU . 14.3 t -142.25 127.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 mt -95.06 123.4 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.303 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.76 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.2 mp -134.54 112.54 10.96 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -156.29 113.01 3.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.821 0.344 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.97 -40.1 92.82 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.904 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 83.5 tttt 57.75 60.26 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.937 0.399 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 77.1 p -120.13 124.88 46.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -164.96 49.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -159.53 112.09 2.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 -136.01 15.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.555 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -90.27 179.0 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' THR . . . . . 0.567 HG23 ' O ' ' C' ' 16' ' ' THR . 8.0 t -81.81 88.38 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.206 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 47.5 p -137.8 166.42 24.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 27.6 p 53.73 91.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.327 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.12 137.58 0.93 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.731 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.69 -50.87 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 111.395 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.599 HG12 ' HE2' ' D' ' 34' ' ' PHE . 5.9 m -85.64 80.99 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.295 0.569 . . . . 0.0 110.887 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.432 ' O ' ' HB ' ' C' ' 25' ' ' THR . 35.9 t70 -102.13 144.88 30.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.165 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.97 52.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.249 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.85 67.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.345 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.601 ' O ' HG23 ' C' ' 29' ' ' VAL . 86.5 m -62.49 -38.72 90.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.6 ' O ' HG23 ' C' ' 30' ' ' VAL . 16.5 t80 -68.66 -45.35 71.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.637 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 1.5 tt0 -56.11 -55.47 32.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.233 -179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.37 -48.38 67.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 56.9 t -63.22 -42.7 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.6 HG23 ' O ' ' C' ' 26' ' ' PHE . 60.4 t -70.7 -45.73 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -63.47 -45.66 89.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 0.0 110.682 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -63.16 -45.66 90.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.636 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.9 t80 -67.59 -46.31 72.99 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.741 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 36.5 m-85 -75.84 -34.77 60.1 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -54.21 -32.05 54.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.944 0.402 . . . . 0.0 111.162 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -61.76 -17.64 56.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.059 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.642 ' OD1' HG23 ' C' ' 39' ' ' VAL . 16.4 p30 -105.7 -21.69 13.13 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.72 13.25 1.85 Allowed Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.113 -1.041 . . . . 0.0 114.215 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.0 t -89.55 143.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 117.496 0.648 . . . . 0.0 110.95 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -158.43 -177.42 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.11 -145.14 18.37 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.303 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -147.28 154.86 41.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.4 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' TRP . . . . . 0.432 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 95.0 m95 -73.37 117.96 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 63.3 p -110.66 141.58 43.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.333 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.11 143.41 52.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.826 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.82 160.07 33.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.014 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.32 126.02 27.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 145.05 27.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.96 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 19.8 m -140.15 156.47 46.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.392 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -124.61 119.06 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.079 0.466 . . . . 0.0 111.376 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 31.5 m -104.12 132.55 50.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.169 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -81.26 114.76 20.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.194 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -86.87 123.08 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.483 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.08 155.69 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.1 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 68.1 m -149.46 -69.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.929 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.896 0.379 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.37 123.17 32.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.299 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.3 m-85 -109.06 130.08 55.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.349 0.595 . . . . 0.0 112.034 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -106.53 129.2 54.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.817 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.542 HG12 HD12 ' D' ' 7' ' ' LEU . 13.8 t -142.31 127.23 16.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 28.8 mt -95.14 123.51 47.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.349 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.741 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.2 mp -134.63 112.63 10.98 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -157.74 121.54 4.12 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.784 0.326 . . . . 0.0 111.596 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.58 123.36 28.88 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.318 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -83.73 157.66 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 10.4 m -82.12 114.07 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 mt -103.77 -66.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -165.08 122.18 1.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.678 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.36 40.27 11.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.339 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 60.95 155.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 111.177 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -103.59 166.86 10.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -160.38 -52.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.05 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -135.73 -177.02 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 60.01 171.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.19 68.44 0.83 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.08 0.467 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.559 HG12 ' HE2' ' C' ' 34' ' ' PHE . 4.4 m 43.28 84.23 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.36 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' D' ' 25' ' ' THR . 35.7 t70 -101.43 144.41 30.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.872 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.66 -43.1 57.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.22 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.66 -28.82 68.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.344 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' D' ' 29' ' ' VAL . 87.2 m -62.52 -38.48 90.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.787 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.616 ' O ' HG23 ' D' ' 30' ' ' VAL . 16.8 t80 -68.81 -45.21 71.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.705 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 1.5 tt0 -56.38 -55.39 34.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.234 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -67.11 -48.58 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.636 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 57.8 t -63.3 -42.45 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.616 HG23 ' O ' ' D' ' 26' ' ' PHE . 60.3 t -70.75 -45.84 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 32.6 tttt -63.33 -45.75 89.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.961 0.41 . . . . 0.0 110.642 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -63.12 -45.78 90.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.114 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.0 t80 -67.52 -46.31 73.2 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.76 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 36.6 m-85 -75.86 -34.91 60.05 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -54.15 -31.94 53.93 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.042 0.449 . . . . 0.0 111.193 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -61.74 -17.64 56.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.051 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.642 ' OD1' HG23 ' D' ' 39' ' ' VAL . 16.3 p30 -105.79 -21.43 13.17 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.43 13.37 1.89 Allowed Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.042 -1.075 . . . . 0.0 114.187 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' D' ' 37' ' ' ASN . 23.5 t -89.88 143.35 11.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 117.52 0.66 . . . . 0.0 110.824 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -158.33 -177.37 6.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.895 0.378 . . . . 0.0 111.246 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.07 -145.2 18.39 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.374 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -147.39 154.62 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.384 . . . . 0.0 111.031 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 43' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 95.2 m95 -73.18 118.11 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.353 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -110.79 141.64 43.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.317 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.13 143.21 52.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.51 160.39 32.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.066 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.56 125.98 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.752 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.05 144.72 27.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.061 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 19.4 m -139.89 156.32 46.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.368 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -124.62 118.88 27.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.047 0.451 . . . . 0.0 111.363 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 31.8 m -103.96 132.68 49.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.12 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -81.34 114.76 20.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.185 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 90.5 m -86.83 123.07 31.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.44 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.28 155.75 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 111.113 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.6 m -149.51 -69.38 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.931 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.799 0.333 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.87 122.59 33.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 38.3 m-85 -108.24 133.45 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.303 0.573 . . . . 0.0 112.18 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -106.56 131.47 53.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.805 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 7' ' ' LEU . 21.0 t -142.54 127.4 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -99.93 118.1 46.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.512 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp -120.36 120.49 36.14 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -156.06 118.42 4.09 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.795 0.331 . . . . 0.0 111.807 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.02 -52.07 50.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.353 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttp 60.08 175.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.992 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.9 p -60.79 127.85 33.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.045 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 tp -142.11 111.15 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 144.12 37.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.77 -175.53 22.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.432 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -148.74 40.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 17' ' ' THR . 25.1 m -143.17 128.88 19.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.786 HG23 HG22 ' A' ' 16' ' ' THR . 17.0 p 55.55 170.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.308 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.0 p -142.8 32.55 1.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -102.21 121.91 43.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.742 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -167.05 70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.314 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 m 44.29 77.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.275 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 24.7 t70 -101.36 147.56 26.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.801 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.8 -43.38 65.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.236 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.6 -30.94 70.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.08 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 29' ' ' VAL . 75.9 m -63.03 -39.18 93.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.0 t80 -66.17 -46.1 78.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.849 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.05 -53.92 51.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.123 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -67.82 -49.06 64.33 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 61.5 t -64.08 -44.84 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 26' ' ' PHE . 56.8 t -69.34 -46.78 76.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -63.43 -45.28 91.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.911 0.386 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -64.73 -42.66 95.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.739 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.1 t80 -67.89 -47.6 68.37 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.545 ' HB3' HG21 ' A' ' 39' ' ' VAL . 30.3 m-85 -77.32 -32.83 55.55 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -53.76 -29.08 38.31 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.928 0.394 . . . . 0.0 111.189 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.21 -17.09 51.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.875 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.519 ' OD1' HG23 ' A' ' 39' ' ' VAL . 12.0 p30 -104.16 -14.93 15.68 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.26 17.25 3.02 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.557 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 34' ' ' PHE . 21.9 t -88.9 143.66 10.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 117.129 0.464 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -155.66 -178.98 7.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.016 0.436 . . . . 0.0 111.077 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.52 -143.42 18.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -150.78 157.93 43.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.022 0.439 . . . . 0.0 111.237 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -73.03 121.87 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.393 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.8 p -113.23 140.1 48.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.726 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.79 146.14 49.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.611 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.22 157.44 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 110.813 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.62 132.36 48.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.27 141.7 40.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.464 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.0 m -138.71 156.7 47.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.552 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -115.14 148.01 39.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.001 0.429 . . . . 0.0 111.18 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -141.49 128.69 20.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.939 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -81.42 117.97 22.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.489 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -95.5 126.15 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.255 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.37 155.34 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.915 0.388 . . . . 0.0 111.224 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.868 HG22 ' HG2' ' A' ' 56' ' ' GLU . 55.9 m -143.08 -75.79 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.357 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.868 ' HG2' HG22 ' A' ' 55' ' ' THR . 7.3 pt-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.904 0.383 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.72 122.41 32.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.468 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 38.1 m-85 -108.17 133.39 52.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.327 0.584 . . . . 0.0 112.267 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -106.41 131.49 53.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.827 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.496 HG12 HD12 ' B' ' 7' ' ' LEU . 21.3 t -142.58 127.2 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 mt -99.51 117.87 45.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 111.515 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp -120.09 120.41 36.16 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -155.27 110.91 3.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 111.088 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.31 91.06 0.96 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -173.96 102.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 0.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.7 t -158.02 133.7 9.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mt 62.85 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.053 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -164.24 81.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.97 67.53 0.22 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.365 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.443 ' O ' HG22 ' B' ' 16' ' ' THR . 42.3 mt-10 -87.43 91.9 8.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.721 0.296 . . . . 0.0 111.166 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.443 HG22 ' O ' ' B' ' 15' ' ' GLU . 15.0 t 44.19 39.54 2.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.011 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -92.89 -51.81 4.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 46.1 p -143.7 -65.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.099 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 59.84 174.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 37' ' ' ASN . . . -173.63 -66.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.224 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 m -80.31 70.77 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.432 0.634 . . . . 0.0 110.859 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' B' ' 25' ' ' THR . 27.0 t70 -102.04 148.07 25.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.874 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.66 -42.94 65.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.197 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.99 -30.94 70.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.515 ' O ' HG23 ' B' ' 29' ' ' VAL . 74.9 m -63.12 -38.91 93.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.565 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.1 t80 -66.22 -46.11 78.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.824 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.11 -54.0 50.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.113 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -67.76 -49.11 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.572 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 61.8 t -64.1 -44.65 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 26' ' ' PHE . 56.1 t -69.5 -46.59 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -63.48 -45.43 90.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 110.798 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.66 -42.6 95.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.736 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.1 t80 -68.03 -47.41 68.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.565 ' HB3' HG21 ' B' ' 39' ' ' VAL . 30.5 m-85 -77.48 -32.49 54.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -53.97 -29.1 41.55 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.191 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -61.37 -17.05 52.15 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.829 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.503 ' OD1' HG23 ' B' ' 39' ' ' VAL . 11.2 p30 -104.28 -14.7 15.7 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.94 17.47 3.07 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.487 -0.863 . . . . 0.0 113.597 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' B' ' 34' ' ' PHE . 21.8 t -89.12 143.68 10.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.153 0.476 . . . . 0.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.72 -178.78 7.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.28 -143.68 18.06 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.505 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -150.58 157.88 43.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.402 . . . . 0.0 111.211 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -72.9 121.94 20.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.351 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 45.8 p -113.23 140.05 48.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.739 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.84 146.32 49.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.585 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.3 157.4 37.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.68 132.44 48.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 141.71 41.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.66 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -138.66 156.64 47.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.568 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -114.97 148.01 39.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.075 0.464 . . . . 0.0 111.169 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.59 128.73 20.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -81.47 118.44 22.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.48 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 89.3 m -96.04 126.01 40.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.155 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.11 155.31 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.355 . . . . 0.0 111.269 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.868 HG22 ' HG2' ' B' ' 56' ' ' GLU . 56.4 m -143.0 -76.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.393 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.868 ' HG2' HG22 ' B' ' 55' ' ' THR . 7.2 pt-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.739 0.304 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -89.74 122.53 32.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.745 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.471 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 37.9 m-85 -108.26 133.32 52.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.289 0.566 . . . . 0.0 112.206 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -106.45 131.6 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.82 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.505 HG12 HD12 ' C' ' 7' ' ' LEU . 20.8 t -142.58 127.33 16.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.007 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.68 118.34 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.471 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp -120.56 120.53 36.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -156.91 113.32 3.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.989 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.73 109.85 2.9 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.642 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -134.82 150.31 50.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 110.832 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -129.53 154.33 47.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.19 41.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.186 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.32 175.74 11.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.31 98.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -71.21 145.19 49.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.726 0.298 . . . . 0.0 110.715 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 2.3 m -115.65 -40.55 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 20.7 p 54.03 -171.92 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.494 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 1.5 t -131.92 144.9 51.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.061 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 60.87 113.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.2 79.62 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.27 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 m 44.65 76.45 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.261 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.412 ' O ' ' HB ' ' C' ' 25' ' ' THR . 25.6 t70 -101.53 147.68 26.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.673 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.83 -43.33 65.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.263 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.61 -30.95 70.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.509 ' O ' HG23 ' C' ' 29' ' ' VAL . 73.7 m -63.04 -39.07 93.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.742 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.569 ' O ' HG23 ' C' ' 30' ' ' VAL . 18.8 t80 -66.2 -45.99 78.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.859 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.2 -53.85 52.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.154 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -67.85 -48.88 64.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.573 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 61.5 t -64.29 -44.69 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.569 HG23 ' O ' ' C' ' 26' ' ' PHE . 53.1 t -69.48 -46.48 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -63.76 -45.21 90.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.903 0.382 . . . . 0.0 110.683 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.781 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.1 t80 -67.82 -47.53 68.81 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.546 ' HB3' HG21 ' C' ' 39' ' ' VAL . 30.3 m-85 -77.4 -32.59 54.91 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -53.94 -29.15 41.16 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.872 0.368 . . . . 0.0 111.119 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -61.34 -17.08 52.15 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.932 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.496 ' OD1' HG23 ' C' ' 39' ' ' VAL . 11.2 p30 -104.2 -14.77 15.72 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.06 17.41 3.05 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.459 -0.877 . . . . 0.0 113.585 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' C' ' 34' ' ' PHE . 21.8 t -89.01 143.55 10.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 117.121 0.461 . . . . 0.0 111.015 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.46 -179.02 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 0.0 111.201 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.53 -143.55 18.07 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -150.5 158.11 43.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 111.361 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -73.23 122.04 21.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.353 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 47.4 p -113.59 140.17 48.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.76 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.75 146.25 49.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.693 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.27 157.48 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.68 132.21 47.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.05 141.7 39.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.497 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -138.66 156.59 47.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.703 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -115.13 147.63 40.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.016 0.436 . . . . 0.0 111.189 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.47 128.71 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.985 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -81.34 118.19 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.512 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -95.69 126.08 40.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.313 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.32 155.35 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.225 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.856 HG22 ' HG2' ' C' ' 56' ' ' GLU . 56.4 m -142.96 -75.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.358 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 56' ' ' GLU . . . . . 0.856 ' HG2' HG22 ' C' ' 55' ' ' THR . 7.3 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.856 0.36 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -89.82 122.61 33.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.674 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.469 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 38.3 m-85 -108.24 133.41 52.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.242 0.544 . . . . 0.0 112.232 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -106.55 131.38 53.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.865 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.508 HG12 HD12 ' D' ' 7' ' ' LEU . 21.2 t -142.53 127.16 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.52 118.19 45.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.518 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.508 HD12 HG12 ' D' ' 5' ' ' VAL . 1.1 mp -120.27 120.43 36.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.048 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -155.0 109.27 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.15 111.96 4.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.737 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -102.24 119.25 38.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.765 0.317 . . . . 0.0 110.71 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 16.0 m -111.68 81.7 1.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 mt -86.52 175.81 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.749 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -96.33 94.71 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.01 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.16 -144.63 4.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.392 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' GLU . . . . . 0.434 ' O ' HG22 ' D' ' 16' ' ' THR . 31.4 mt-10 -142.03 160.84 39.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 16' ' ' THR . . . . . 0.434 HG22 ' O ' ' D' ' 15' ' ' GLU . 15.0 t 44.58 38.16 2.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.937 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 12.7 m -60.18 -56.96 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 7.7 p 58.3 110.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.45 146.43 10.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.18 25.77 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.658 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 m -90.88 73.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.325 0.583 . . . . 0.0 111.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -102.66 148.18 25.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.966 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.72 -43.05 65.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -30.96 70.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.509 ' O ' HG23 ' D' ' 29' ' ' VAL . 74.8 m -63.07 -38.89 92.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.686 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.579 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.1 t80 -66.33 -46.11 77.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.8 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.96 -54.04 49.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.165 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -67.89 -48.99 64.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.575 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 61.4 t -64.04 -44.75 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.579 HG23 ' O ' ' D' ' 26' ' ' PHE . 54.2 t -69.46 -46.69 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -63.43 -45.34 91.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.768 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.78 -42.65 94.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.723 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.573 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.1 t80 -67.78 -47.56 68.83 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.547 ' HB3' HG21 ' D' ' 39' ' ' VAL . 30.2 m-85 -77.45 -32.86 54.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -53.7 -29.23 38.05 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.938 0.399 . . . . 0.0 111.142 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.31 -16.96 51.19 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.927 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.51 ' OD1' HG23 ' D' ' 39' ' ' VAL . 11.2 p30 -104.2 -14.91 15.67 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.01 17.6 3.03 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.491 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' D' ' 34' ' ' PHE . 21.8 t -89.27 143.69 10.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 117.207 0.503 . . . . 0.0 110.968 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.6 -178.71 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.189 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.27 -143.49 18.0 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.539 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -150.79 157.99 43.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.403 . . . . 0.0 111.201 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -72.92 121.68 20.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -113.04 140.11 48.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.756 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.92 146.27 49.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.574 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.28 157.44 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.71 132.47 48.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.43 141.82 40.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.525 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 27.5 m -138.5 156.64 47.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.572 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -115.01 147.87 39.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 0.0 111.174 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 16.6 m -141.53 128.77 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -81.61 118.4 22.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.402 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -95.91 126.13 40.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.191 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.26 155.44 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.218 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.845 HG22 ' HG2' ' D' ' 56' ' ' GLU . 57.6 m -143.18 -76.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.279 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 56' ' ' GLU . . . . . 0.845 ' HG2' HG22 ' D' ' 55' ' ' THR . 7.2 pt-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.912 0.386 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -89.99 124.25 34.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.713 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.456 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 38.8 m-85 -109.2 128.71 55.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.377 0.608 . . . . 0.0 111.776 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -106.53 128.07 53.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 t -142.35 124.35 13.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 mt -96.61 117.28 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.4 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -106.94 124.93 50.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.189 179.045 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -148.35 89.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.151 0.5 . . . . 0.0 111.427 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.17 59.6 1.66 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.04 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -160.15 97.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.044 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -158.55 93.45 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.725 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt 66.14 87.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -160.78 101.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.766 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.64 -35.31 85.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.676 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -77.78 174.63 10.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -122.55 88.96 3.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.654 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.2 p -98.04 -176.38 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.245 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 p -74.34 -27.06 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.224 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 64.56 133.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.912 0.387 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.527 ' HB1' ' OD1' ' B' ' 37' ' ' ASN . . . -78.87 -72.13 0.4 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.5 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.408 HG13 ' HG ' ' A' ' 7' ' ' LEU . 13.6 t -70.14 63.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.169 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.0 t70 -102.42 144.86 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.388 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.54 -44.55 56.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.428 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.81 -31.81 72.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.214 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.6 m -63.62 -40.76 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.738 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.778 ' O ' HG23 ' A' ' 30' ' ' VAL . 31.8 t80 -64.87 -46.93 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.806 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 45.9 mt-10 -57.56 -48.64 78.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.604 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -67.87 -45.44 74.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 25' ' ' THR . 63.5 t -63.14 -42.32 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 26' ' ' PHE . 39.9 t -70.28 -44.86 77.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -63.96 -46.19 85.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 110.766 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -65.2 -42.49 93.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.487 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.529 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.74 -48.1 67.4 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.451 ' HB3' HG21 ' A' ' 39' ' ' VAL . 34.6 m-85 -77.2 -30.6 54.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.87 -30.23 57.33 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.955 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -62.02 -18.39 60.4 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.635 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -101.82 -19.16 15.43 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.702 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 16.34 3.04 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.191 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 34' ' ' PHE . 38.7 t -88.57 143.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.911 0.356 . . . . 0.0 110.559 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -153.09 -175.99 5.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 111.213 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.97 -145.09 18.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.435 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -151.07 158.37 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 83.9 m95 -72.78 118.78 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.234 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.425 HG21 ' OG1' ' C' ' 53' ' ' THR . 57.5 p -112.75 139.54 48.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.537 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -70.81 143.61 51.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.2 157.96 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.21 132.52 48.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.721 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.82 140.56 36.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.927 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -136.22 156.43 48.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.679 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -126.17 122.83 36.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.937 0.399 . . . . 0.0 111.391 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.8 m -108.43 132.95 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.305 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -80.25 118.17 21.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.69 0.281 . . . . 0.0 111.344 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.43 ' OG1' HG21 ' C' ' 44' ' ' THR . 92.1 m -92.12 119.44 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.273 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.91 155.81 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 111.049 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.578 HG22 ' HG2' ' A' ' 56' ' ' GLU . 88.0 m -147.32 -84.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.578 ' HG2' HG22 ' A' ' 55' ' ' THR . 3.7 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.118 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.023 0.439 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -90.2 124.24 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.459 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 38.9 m-85 -108.96 128.69 55.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.353 0.597 . . . . 0.0 111.905 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -106.56 128.02 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -142.41 124.28 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 21.9 mt -96.66 117.35 40.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.569 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.3 OUTLIER -106.84 125.17 50.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.244 179.217 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -149.53 102.63 3.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.055 0.455 . . . . 0.0 111.711 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.54 69.55 0.4 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.608 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mttp 60.0 172.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -77.71 147.07 35.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 59.47 -179.3 0.09 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.745 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -88.52 171.3 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.89 49.49 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.364 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -113.41 64.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.1 t -70.71 143.36 51.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.999 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 54.49 -84.67 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.591 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -71.48 176.64 4.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.918 0.389 . . . . 0.0 111.331 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -113.73 174.21 6.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.618 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.15 56.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 111.221 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.413 HG13 ' HG ' ' B' ' 7' ' ' LEU . 20.0 t 52.75 68.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.111 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' B' ' 25' ' ' THR . 13.0 t70 -102.39 144.17 31.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.355 0.598 . . . . 0.0 112.055 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.456 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.64 -44.89 57.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.56 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.87 72.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.87 0.367 . . . . 0.0 111.244 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.738 ' O ' HG23 ' B' ' 29' ' ' VAL . 18.4 m -63.62 -40.82 97.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.637 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.775 ' O ' HG23 ' B' ' 30' ' ' VAL . 31.8 t80 -64.77 -46.9 80.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.52 -48.77 78.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.658 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -67.72 -45.55 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 25' ' ' THR . 63.0 t -63.05 -42.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.775 HG23 ' O ' ' B' ' 26' ' ' PHE . 40.3 t -70.22 -44.88 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 11.9 tmtt? -63.93 -46.1 86.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.003 0.43 . . . . 0.0 110.798 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.2 -42.61 93.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.474 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.521 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.7 t80 -67.63 -48.23 67.35 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.467 ' HB3' HG21 ' B' ' 39' ' ' VAL . 34.6 m-85 -77.1 -30.75 55.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -54.84 -30.28 57.21 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.975 178.597 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -61.93 -18.41 60.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.739 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.527 ' OD1' ' HB1' ' A' ' 20' ' ' ALA . 6.0 m-80 -101.82 -19.35 15.36 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.04 16.25 2.97 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.23 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' B' ' 34' ' ' PHE . 38.3 t -88.56 143.03 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.873 0.336 . . . . 0.0 110.524 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -153.13 -176.16 5.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.93 0.395 . . . . 0.0 111.203 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.12 -145.16 18.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.38 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -151.04 158.54 44.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -72.93 118.7 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.082 0.467 . . . . 0.0 111.219 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.419 HG21 ' OG1' ' D' ' 53' ' ' THR . 61.6 p -112.75 139.67 48.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.416 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.88 143.58 50.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.87 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.22 157.91 36.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.752 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -66.16 132.57 48.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.752 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.91 140.75 36.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.962 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -136.83 156.57 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.487 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -126.0 123.44 38.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 0.0 111.338 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -108.81 132.97 53.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.257 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -80.43 118.24 21.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.314 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.405 ' OG1' HG21 ' D' ' 44' ' ' THR . 88.7 m -92.17 119.4 31.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.366 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.78 155.77 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.581 HG22 ' HG2' ' B' ' 56' ' ' GLU . 89.6 m -147.32 -84.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.581 ' HG2' HG22 ' B' ' 55' ' ' THR . 3.7 pt-20 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -90.04 124.3 34.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.672 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.461 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 39.0 m-85 -109.21 128.81 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.398 0.618 . . . . 0.0 111.821 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -106.57 128.03 53.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.971 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 t -142.36 124.46 13.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 21.8 mt -96.71 117.24 40.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.505 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.3 OUTLIER -107.07 125.04 50.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.083 179.184 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -148.95 102.14 3.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.99 0.424 . . . . 0.0 112.015 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.25 -40.87 7.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.98 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -65.77 91.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.724 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.58 85.68 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.453 ' N ' HD22 ' C' ' 12' ' ' LEU . 3.8 mm? 61.34 175.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.239 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -101.05 62.64 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.027 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.82 -54.62 2.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -172.37 133.75 0.66 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.37 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 5.0 m -134.24 -55.37 0.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.713 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m 68.56 -66.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.242 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -151.74 -48.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.843 0.354 . . . . 0.0 110.95 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -135.18 141.01 45.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.77 76.26 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.777 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.43 HG13 ' HG ' ' C' ' 7' ' ' LEU . 21.2 t 53.06 69.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.174 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.1 t70 -102.28 144.24 31.05 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.413 0.625 . . . . 0.0 112.039 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.457 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -50.87 -44.95 59.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.578 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 -31.96 73.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 111.224 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.76 ' O ' HG23 ' C' ' 29' ' ' VAL . 18.1 m -63.77 -40.63 97.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.711 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.776 ' O ' HG23 ' C' ' 30' ' ' VAL . 31.8 t80 -64.78 -46.84 80.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.402 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 45.6 mt-10 -57.55 -48.62 78.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.684 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -67.74 -45.53 74.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.76 HG23 ' O ' ' C' ' 25' ' ' THR . 63.0 t -63.12 -42.41 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.776 HG23 ' O ' ' C' ' 26' ' ' PHE . 40.3 t -70.24 -44.99 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 12.0 tmtt? -63.79 -46.13 86.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.999 0.428 . . . . 0.0 110.781 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -65.24 -42.58 93.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.541 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.557 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.7 t80 -67.57 -48.35 67.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.447 ' HB3' HG21 ' C' ' 39' ' ' VAL . 34.5 m-85 -76.94 -30.67 56.17 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -54.87 -30.25 57.48 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.962 178.601 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -61.96 -18.43 60.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.728 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' C' ' 34' ' ' PHE . 6.2 m-80 -101.7 -19.3 15.45 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.748 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.86 16.42 2.99 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.286 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' C' ' 34' ' ' PHE . 39.2 t -88.67 143.06 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.912 0.356 . . . . 0.0 110.51 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -153.09 -176.31 5.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 111.278 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.21 -145.08 18.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -151.14 158.57 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 111.005 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' TRP . . . . . 0.402 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 83.7 m95 -72.97 118.7 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.286 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 44' ' ' THR . . . . . 0.43 HG21 ' OG1' ' A' ' 53' ' ' THR . 60.5 p -112.79 139.65 48.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.525 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.83 143.57 51.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.872 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.23 157.9 36.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -66.29 132.67 48.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.799 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 140.64 36.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.009 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 20.3 m -136.41 156.51 48.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.623 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -126.28 122.74 36.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.051 0.453 . . . . 0.0 111.288 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 23.1 m -108.23 132.9 53.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.174 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -80.3 117.76 21.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.803 0.335 . . . . 0.0 111.331 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' THR . . . . . 0.425 ' OG1' HG21 ' A' ' 44' ' ' THR . 91.1 m -91.64 119.38 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.387 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.87 155.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.041 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.601 HG22 ' HG2' ' C' ' 56' ' ' GLU . 89.5 m -147.37 -84.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 56' ' ' GLU . . . . . 0.601 ' HG2' HG22 ' C' ' 55' ' ' THR . 3.8 pt-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.026 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.797 0.332 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -90.01 124.21 34.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.736 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.457 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 39.0 m-85 -109.05 128.78 55.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.285 0.565 . . . . 0.0 111.864 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -106.66 127.99 53.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 t -142.35 124.07 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 mt -96.4 117.14 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.479 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.3 OUTLIER -104.87 123.5 47.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -158.29 -45.62 0.06 Allowed 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.391 0.615 . . . . 0.0 110.182 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.16 58.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.459 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.14 150.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 11' ' ' THR . . . . . 0.563 HG22 ' HG ' ' D' ' 12' ' ' LEU . 23.0 m -71.75 132.12 44.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.224 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.563 ' HG ' HG22 ' D' ' 11' ' ' THR . 15.0 mt 60.28 168.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.291 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -73.31 116.21 13.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.668 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.93 70.33 0.51 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.837 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 61.37 117.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 111.165 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -87.83 121.48 30.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -136.06 -66.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.746 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -142.16 -78.29 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 61.62 119.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.24 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.68 16.89 21.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.827 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.415 HG13 ' HG ' ' D' ' 7' ' ' LEU . 11.2 t -75.8 62.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.945 0.402 . . . . 0.0 111.343 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' D' ' 25' ' ' THR . 12.9 t70 -102.44 144.97 30.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.304 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -50.51 -44.68 56.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.476 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -32.02 73.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.205 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.75 ' O ' HG23 ' D' ' 29' ' ' VAL . 18.3 m -63.64 -40.6 97.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.789 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.78 ' O ' HG23 ' D' ' 30' ' ' VAL . 32.0 t80 -64.89 -46.89 79.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.833 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 45.7 mt-10 -57.52 -48.64 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.695 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -67.85 -45.48 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.75 HG23 ' O ' ' D' ' 25' ' ' THR . 62.3 t -63.0 -42.4 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.78 HG23 ' O ' ' D' ' 26' ' ' PHE . 40.0 t -70.35 -44.83 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.387 . . . . 0.0 112.029 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -63.97 -46.19 85.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.942 0.401 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -65.1 -42.54 93.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.549 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.7 t80 -67.86 -48.16 66.91 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' D' ' 39' ' ' VAL . 34.5 m-85 -77.06 -30.55 55.61 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -30.24 59.12 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.951 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -61.93 -18.49 60.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.691 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -101.73 -19.34 15.42 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.93 16.29 3.0 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.265 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' D' ' 34' ' ' PHE . 38.3 t -88.48 143.11 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.922 0.361 . . . . 0.0 110.593 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -153.28 -176.18 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.986 0.422 . . . . 0.0 111.173 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.1 -145.0 18.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.384 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -151.1 158.54 44.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 111.001 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 43' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 83.8 m95 -72.85 118.66 16.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.057 0.456 . . . . 0.0 111.255 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 44' ' ' THR . . . . . 0.405 HG21 ' OG1' ' B' ' 53' ' ' THR . 62.3 p -112.71 139.64 48.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.432 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.78 143.62 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.85 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 157.86 36.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.22 132.72 49.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.587 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.81 140.47 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.112 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 19.5 m -135.77 156.29 49.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.651 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -125.97 122.68 36.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.962 0.411 . . . . 0.0 111.19 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -108.46 132.84 53.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.247 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -80.27 117.92 21.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.771 0.32 . . . . 0.0 111.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 53' ' ' THR . . . . . 0.419 ' OG1' HG21 ' B' ' 44' ' ' THR . 90.8 m -91.73 119.4 31.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.396 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.402 HG12 ' N ' ' D' ' 55' ' ' THR . 5.6 t -70.88 155.99 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.729 0.3 . . . . 0.0 110.995 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.595 HG22 ' HG2' ' D' ' 56' ' ' GLU . 88.4 m -147.52 -84.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 56' ' ' GLU . . . . . 0.595 ' HG2' HG22 ' D' ' 55' ' ' THR . 3.7 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.74 0.305 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -90.69 126.69 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.472 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.548 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 37.7 m-85 -109.3 126.25 53.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.377 0.608 . . . . 0.0 112.254 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -106.48 122.18 45.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.482 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.16 128.86 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 111.772 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -92.69 119.73 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.014 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.753 HD11 ' CE1' ' B' ' 34' ' ' PHE . 3.9 tp -134.31 112.51 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -151.61 -57.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.08 44.94 0.6 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.488 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' ' 11' ' ' THR . 3.9 tmtt? -169.65 69.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.956 0.408 . . . . 0.0 110.778 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 10' ' ' LYS . 1.9 p -161.04 38.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 13' ' ' LYS . 1.2 pp -162.44 -43.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' N ' HD12 ' A' ' 12' ' ' LEU . 29.5 tttp -150.4 158.35 44.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.21 -33.89 16.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.551 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.9 93.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -101.72 111.74 24.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -141.92 -49.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 18' ' ' THR . 3.7 t -86.73 83.93 7.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.44 126.34 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.91 -68.88 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.516 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.4 m -74.97 70.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.194 0.521 . . . . 0.0 111.463 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' O ' ' HB ' ' A' ' 25' ' ' THR . 20.0 t70 -102.53 144.03 31.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.108 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.533 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.97 -43.47 66.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.206 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.84 -32.63 74.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.773 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' HG23 ' A' ' 29' ' ' VAL . 39.3 m -63.52 -37.87 88.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.243 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 30' ' ' VAL . 30.4 t80 -64.11 -50.36 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.915 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -56.87 -49.25 76.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.805 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.38 -50.81 62.23 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.413 0.524 . . . . 0.0 112.413 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.574 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 66.1 t -64.27 -43.56 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.7 t -69.84 -45.6 76.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.153 -178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -64.88 -45.36 86.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.047 0.451 . . . . 0.0 110.635 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.92 -42.74 94.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.589 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 5.3 t80 -67.36 -47.27 70.91 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' B' ' 7' ' ' LEU . 30.3 m-85 -77.48 -29.97 52.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.0 -29.4 57.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.123 0.487 . . . . 0.0 110.919 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -60.72 -17.9 51.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.846 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.593 ' OD1' HG23 ' A' ' 39' ' ' VAL . 13.2 p30 -103.56 -17.8 15.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.49 15.8 2.39 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.201 -1.0 . . . . 0.0 113.612 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.593 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.5 t -89.44 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.029 0.414 . . . . 0.0 111.014 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -156.7 -179.47 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.92 -144.54 17.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.248 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -148.84 156.23 42.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -73.04 118.54 16.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.5 p -110.98 140.52 45.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.423 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.74 143.01 51.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.722 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' HB2' ' HB ' ' C' ' 49' ' ' THR . 1.0 OUTLIER -71.85 158.67 35.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.75 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.15 130.35 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.709 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.79 142.77 33.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.874 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.1 m -137.57 156.36 48.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.367 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -125.1 120.54 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.007 0.432 . . . . 0.0 111.382 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -106.62 132.94 52.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.298 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.9 118.49 22.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.367 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -92.93 123.1 35.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.448 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.32 155.79 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.923 0.392 . . . . 0.0 111.158 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -148.97 -69.03 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.921 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.738 0.304 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.68 126.61 36.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.562 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.533 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.6 m-85 -109.29 126.23 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.364 0.602 . . . . 0.0 112.246 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.49 122.15 45.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.42 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.18 128.88 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.032 0.444 . . . . 0.0 111.742 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.1 mt -92.69 119.87 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.995 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.747 HD11 ' CE1' ' A' ' 34' ' ' PHE . 3.9 tp -134.31 112.42 11.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -152.6 -61.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 0.0 110.693 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.43 -84.47 0.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.64 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.1 -173.95 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.676 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.7 t -164.3 37.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -112.67 -36.27 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.09 39.13 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.95 -62.38 4.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -90.35 173.83 7.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 33.3 m -73.07 80.54 1.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.791 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.401 ' O ' ' N ' ' B' ' 19' ' ' GLU . 3.0 m -135.04 -57.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 62.7 p 55.79 -84.48 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.392 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 17' ' ' THR . 54.2 mt-10 -59.44 118.36 5.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 111.024 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.407 ' C ' HG22 ' B' ' 21' ' ' VAL . . . -169.18 77.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.246 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.407 HG22 ' C ' ' B' ' 20' ' ' ALA . 5.3 m 43.01 77.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.967 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' B' ' 25' ' ' THR . 19.7 t70 -102.23 143.55 31.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.338 0.59 . . . . 0.0 111.903 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -53.29 -43.63 67.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.211 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.59 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.766 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.515 ' O ' HG23 ' B' ' 29' ' ' VAL . 39.1 m -63.54 -37.8 88.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.215 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.637 ' O ' HG23 ' B' ' 30' ' ' VAL . 30.6 t80 -64.27 -50.37 68.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.876 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -56.8 -49.23 75.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.83 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.4 -50.77 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.573 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 66.2 t -64.32 -43.6 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.5 t -69.79 -45.62 76.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.173 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -64.94 -45.29 86.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 0.0 110.615 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.99 -42.67 94.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.609 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.574 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.4 t80 -67.44 -47.24 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.753 ' CE1' HD11 ' A' ' 7' ' ' LEU . 30.6 m-85 -77.56 -29.91 52.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -54.98 -29.36 56.82 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.071 0.462 . . . . 0.0 110.899 179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -60.78 -17.9 51.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.837 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.59 ' OD1' HG23 ' B' ' 39' ' ' VAL . 13.1 p30 -103.57 -17.81 15.02 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.48 15.71 2.41 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.531 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.59 HG23 ' OD1' ' B' ' 37' ' ' ASN . 22.4 t -89.33 143.09 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 117.168 0.484 . . . . 0.0 111.015 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -156.76 -179.73 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.251 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.26 -144.43 17.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.28 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -148.95 156.2 41.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -72.99 118.53 16.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -110.92 140.4 45.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.444 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.62 142.87 51.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.76 158.72 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.08 130.09 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.31 142.43 31.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.714 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' D' ' 46' ' ' ASP . 26.7 m -137.41 156.29 48.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.356 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -125.14 120.57 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 111.397 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.64 133.07 51.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.347 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -81.1 118.5 22.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 90.0 m -92.88 123.23 35.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.41 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.41 155.89 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.97 0.414 . . . . 0.0 111.155 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.6 m -149.06 -69.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.004 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.71 126.65 36.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.543 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 37.7 m-85 -109.25 126.25 53.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.364 0.602 . . . . 0.0 112.225 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.54 122.08 45.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.404 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.11 128.87 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.713 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.2 mt -92.77 119.94 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.997 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.753 HD11 ' CE1' ' D' ' 34' ' ' PHE . 3.9 tp -134.31 112.39 10.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -152.63 -66.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.028 0.442 . . . . 0.0 110.916 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.39 53.96 0.91 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.568 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt 59.67 178.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 22.7 m -118.62 83.3 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.69 -32.98 73.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 pttm 44.67 33.99 1.06 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.588 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.43 -134.58 1.67 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.548 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -85.06 124.17 31.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.33 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -91.51 163.29 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.95 -55.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 1.5 p -126.83 123.97 38.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.54 164.43 33.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.37 -61.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -74.87 72.23 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.014 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' C' ' 25' ' ' THR . 20.0 t70 -102.43 144.01 31.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.243 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.535 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -52.95 -43.57 66.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.205 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.57 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.838 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.508 ' O ' HG23 ' C' ' 29' ' ' VAL . 40.0 m -63.56 -37.81 88.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.216 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.632 ' O ' HG23 ' C' ' 30' ' ' VAL . 30.4 t80 -64.23 -50.32 68.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.878 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -56.86 -49.39 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.769 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.24 -50.87 62.3 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.551 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 66.9 t -64.25 -43.64 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.632 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.8 t -69.75 -45.71 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.19 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -64.75 -45.43 86.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.065 0.46 . . . . 0.0 110.692 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.95 -42.62 94.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.677 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.558 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.3 t80 -67.37 -47.26 70.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.755 ' CE1' HD11 ' D' ' 7' ' ' LEU . 30.6 m-85 -77.47 -30.05 52.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -54.94 -29.43 56.49 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.073 0.463 . . . . 0.0 110.865 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -60.79 -17.75 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.87 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.604 ' OD1' HG23 ' C' ' 39' ' ' VAL . 13.0 p30 -103.59 -17.86 14.99 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.46 15.84 2.39 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.196 -1.002 . . . . 0.0 113.545 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.604 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.5 t -89.44 143.16 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 117.073 0.437 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -156.77 -179.58 8.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.993 0.425 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.12 -144.48 17.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.254 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.84 156.25 42.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -73.0 118.45 15.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 81.9 p -110.88 140.56 45.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.343 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.7 142.99 51.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.724 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.95 158.77 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.936 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.22 130.41 43.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.74 142.63 33.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.779 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 46' ' ' ASP . 26.4 m -137.4 156.31 48.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.387 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -125.11 120.5 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.396 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 24.3 m -106.52 133.02 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.315 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -80.88 118.49 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.356 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -92.96 123.17 36.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.482 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.32 155.84 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.142 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 54.5 m -149.06 -69.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.92 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.792 0.33 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.61 126.62 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.515 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.535 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.5 m-85 -109.32 126.28 53.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.37 0.605 . . . . 0.0 112.243 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.52 122.17 45.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.446 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.19 129.03 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.078 0.466 . . . . 0.0 111.71 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.3 mt -92.83 119.91 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.018 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.755 HD11 ' CE1' ' C' ' 34' ' ' PHE . 3.9 tp -134.24 112.38 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -153.71 -66.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.75 -91.42 0.2 Allowed Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.108 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm 61.86 126.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' THR . . . . . 0.549 ' C ' HD23 ' D' ' 12' ' ' LEU . 19.3 m 62.77 143.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.59 HD23 ' N ' ' D' ' 12' ' ' LEU . 0.7 OUTLIER -168.48 121.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.841 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -129.4 133.34 47.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.989 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.84 106.68 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.67 117.01 19.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 22.7 m -137.52 -50.76 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.503 HG22 ' H ' ' D' ' 18' ' ' THR . 0.2 OUTLIER -96.46 176.66 5.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 18' ' ' THR . . . . . 0.503 ' H ' HG22 ' D' ' 17' ' ' THR . 28.3 p -104.56 -35.92 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -87.87 171.62 10.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.25 53.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 m 43.14 76.22 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.789 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' D' ' 25' ' ' THR . 19.8 t70 -102.18 143.41 32.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.858 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.543 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -53.16 -43.79 67.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.179 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.54 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.513 ' O ' HG23 ' D' ' 29' ' ' VAL . 41.2 m -63.51 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.224 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.641 ' O ' HG23 ' D' ' 30' ' ' VAL . 30.2 t80 -64.17 -50.31 68.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.901 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -56.88 -49.32 75.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.8 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.35 -50.83 62.23 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.558 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 66.4 t -64.26 -43.61 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.641 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.6 t -69.83 -45.58 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.123 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -64.88 -45.36 86.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.988 0.423 . . . . 0.0 110.637 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -65.02 -42.63 94.25 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.578 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.551 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.3 t80 -67.48 -47.3 70.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.753 ' CE1' HD11 ' C' ' 7' ' ' LEU . 30.5 m-85 -77.42 -30.04 53.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -54.96 -29.45 56.82 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.015 0.436 . . . . 0.0 110.858 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -60.7 -17.77 50.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.942 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.597 ' OD1' HG23 ' D' ' 39' ' ' VAL . 13.1 p30 -103.62 -17.79 15.0 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.49 15.66 2.42 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.226 -0.987 . . . . 0.0 113.605 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.597 HG23 ' OD1' ' D' ' 37' ' ' ASN . 22.1 t -89.41 143.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 117.116 0.458 . . . . 0.0 110.986 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -156.65 -178.92 7.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.171 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.46 -144.63 18.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.312 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.84 156.26 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -72.95 118.42 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.236 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.6 p -110.9 140.47 45.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.526 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -70.6 142.96 51.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.762 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 46' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' B' ' 49' ' ' THR . 1.0 OUTLIER -71.86 158.75 35.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -179.722 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.11 130.04 41.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 142.48 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.699 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 26.9 m -137.58 156.34 48.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.314 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -125.0 120.61 32.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.401 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 24.3 m -106.71 132.94 52.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.377 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -80.93 118.56 22.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.403 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 91.2 m -92.98 123.11 35.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.514 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.32 155.8 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.24 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 53.5 m -148.95 -68.96 0.22 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.91 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.745 0.307 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -86.51 123.28 31.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.411 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.3 m-85 -110.73 130.45 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.402 0.62 . . . . 0.0 112.201 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -106.4 126.02 51.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.627 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.527 HG12 HD12 ' A' ' 7' ' ' LEU . 23.5 t -142.14 128.0 18.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.963 0.411 . . . . 0.0 111.303 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.8 mt -93.34 125.42 45.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.767 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.0 OUTLIER -135.08 114.03 12.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.241 179.09 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -154.49 109.99 3.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.822 0.344 . . . . 0.0 111.141 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.02 99.93 1.44 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -72.11 123.6 23.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.354 . . . . 0.0 110.957 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.511 HG22 ' HG3' ' A' ' 13' ' ' LYS . 15.0 m 61.8 106.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tt -95.67 97.0 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' HG3' HG22 ' A' ' 11' ' ' THR . 44.2 mtpt -105.65 -175.92 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.774 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.57 29.78 11.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.669 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -131.84 119.63 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -95.51 108.93 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.653 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.2 m -136.06 -54.78 0.76 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.169 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -146.98 156.84 43.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 63.34 125.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.65 45.96 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.445 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.561 HG12 ' HE2' ' B' ' 34' ' ' PHE . 3.3 m -97.35 87.19 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.929 0.395 . . . . 0.0 110.632 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 25' ' ' THR . 28.8 t70 -102.11 143.7 31.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.418 0.628 . . . . 0.0 111.789 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.26 -44.68 33.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.613 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.64 68.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.262 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.7 m -62.2 -40.71 96.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.977 0.418 . . . . 0.0 110.448 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.6 t80 -66.98 -48.31 68.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.903 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 48.7 mt-10 -56.77 -52.4 65.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.013 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -67.29 -49.92 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.629 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 60.7 t -62.77 -42.5 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 26' ' ' PHE . 63.8 t -71.37 -44.94 71.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.867 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -62.91 -46.22 88.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -63.26 -46.42 86.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.373 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.628 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.5 t80 -67.4 -46.38 73.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.763 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 39.1 m-85 -75.12 -33.45 61.59 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.26 -31.02 63.19 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.989 0.424 . . . . 0.0 111.0 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -62.01 -17.65 57.89 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.119 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.654 ' OD1' HG23 ' A' ' 39' ' ' VAL . 18.9 p30 -105.74 -21.91 13.07 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.03 13.37 1.77 Allowed Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.319 -0.943 . . . . 0.0 114.183 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.654 HG23 ' OD1' ' A' ' 37' ' ' ASN . 29.3 t -89.31 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.557 0.679 . . . . 0.0 110.826 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.18 -179.02 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 111.111 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.37 -145.86 18.09 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.545 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -147.76 155.13 41.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.388 . . . . 0.0 110.986 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 97.6 m95 -73.32 117.73 15.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.197 0.522 . . . . 0.0 111.381 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -111.07 141.62 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.325 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -69.89 144.87 52.35 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.817 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.35 159.83 33.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -66.22 126.32 28.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.5 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 144.01 28.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.948 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -139.47 156.64 46.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.469 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -124.56 119.63 29.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.991 0.424 . . . . 0.0 111.348 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.9 m -105.28 133.66 49.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.459 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -80.14 118.72 22.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -91.9 123.21 35.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.373 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.48 154.93 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.2 m -147.66 -68.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.065 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.849 0.357 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.41 123.12 31.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.353 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.433 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -110.72 130.59 55.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.369 0.604 . . . . 0.0 112.287 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -106.39 126.07 51.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.612 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.528 HG12 HD12 ' B' ' 7' ' ' LEU . 23.0 t -142.13 127.89 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.369 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 mt -93.13 125.51 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.59 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.763 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -135.28 113.67 11.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.326 179.053 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -153.17 108.9 3.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.66 73.91 1.83 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.34 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -150.92 40.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.996 0.427 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -101.07 102.4 13.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 29.0 mt 57.54 105.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -73.15 113.74 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.693 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.61 -147.06 4.9 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.626 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.448 ' O ' HG22 ' B' ' 16' ' ' THR . 38.7 mt-10 -129.55 167.15 18.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.78 0.324 . . . . 0.0 111.069 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.448 HG22 ' O ' ' B' ' 15' ' ' GLU . 14.8 t 44.43 30.4 0.48 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.155 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.4 p -60.98 153.9 23.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.081 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 50.6 p -94.52 -37.51 11.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.16 145.44 44.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.36 60.28 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.243 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.554 HG12 ' HE2' ' A' ' 34' ' ' PHE . 3.2 m -98.62 87.89 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' B' ' 25' ' ' THR . 28.3 t70 -101.95 143.6 31.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.398 0.618 . . . . 0.0 111.986 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.22 -44.89 33.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.561 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.2 -28.52 68.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.283 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.614 ' O ' HG23 ' B' ' 29' ' ' VAL . 98.8 m -62.34 -40.7 97.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.019 0.437 . . . . 0.0 110.55 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.572 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.4 t80 -66.93 -48.21 69.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.889 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 48.5 mt-10 -56.79 -52.31 65.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.096 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -67.41 -49.86 61.98 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.628 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 61.1 t -62.81 -42.57 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 26' ' ' PHE . 64.7 t -71.36 -44.9 71.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.873 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -62.9 -46.1 89.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.0 110.629 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.35 -46.38 86.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.388 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.629 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.5 t80 -67.4 -46.41 73.29 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.767 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 39.1 m-85 -75.03 -33.29 61.76 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.36 -30.98 63.35 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.978 0.418 . . . . 0.0 110.973 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.01 -17.66 57.95 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.096 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.654 ' OD1' HG23 ' B' ' 39' ' ' VAL . 18.9 p30 -105.89 -21.66 13.1 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.73 13.53 1.81 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.334 -0.936 . . . . 0.0 114.164 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.654 HG23 ' OD1' ' B' ' 37' ' ' ASN . 30.8 t -89.3 143.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 117.527 0.664 . . . . 0.0 110.763 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -157.44 -179.24 7.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.116 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.45 -145.77 18.03 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -147.92 155.01 41.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.85 0.357 . . . . 0.0 110.98 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 97.5 m95 -73.32 117.86 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.233 0.54 . . . . 0.0 111.41 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.7 p -111.24 141.65 44.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.417 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -69.86 144.79 52.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.859 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 159.86 33.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -66.07 126.02 27.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.48 144.13 26.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.123 0.487 . . . . 0.0 111.888 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.2 m -139.57 156.71 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.487 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -124.64 119.58 29.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.066 0.46 . . . . 0.0 111.382 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 50.0 m -105.19 133.53 49.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.403 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -80.03 118.19 21.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.225 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 93.0 m -91.48 123.12 34.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.34 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.44 154.89 7.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 110.983 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.6 m -147.48 -67.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.084 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tpt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.901 0.382 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -86.38 123.17 31.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.424 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.4 m-85 -110.71 130.37 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.276 0.56 . . . . 0.0 112.244 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -106.31 126.13 51.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.601 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.509 HG12 HD12 ' C' ' 7' ' ' LEU . 22.9 t -142.25 127.75 17.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.399 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -93.18 125.56 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.545 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.754 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.0 OUTLIER -135.14 114.01 11.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.193 179.037 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -155.02 112.93 3.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 110.989 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.69 -36.35 71.38 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.891 -0.671 . . . . 0.0 113.013 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 mttp 60.11 91.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 17.7 p 55.13 -169.94 0.07 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -80.17 178.52 8.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.984 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -110.13 160.47 16.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.58 -138.31 3.57 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.646 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -122.17 35.83 4.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.723 0.297 . . . . 0.0 111.052 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.2 m -122.3 -61.46 1.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 71.5 p -100.56 -177.06 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 32.0 p -141.27 110.39 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -146.3 157.9 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.7 34.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.244 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.55 HG12 ' HE2' ' D' ' 34' ' ' PHE . 3.6 m -100.06 87.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.353 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.2 t70 -102.19 143.58 31.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.423 0.63 . . . . 0.0 111.819 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.15 -44.85 32.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.633 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.39 -28.48 67.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.304 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.62 ' O ' HG23 ' C' ' 29' ' ' VAL . 99.4 m -62.23 -40.83 97.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.953 0.406 . . . . 0.0 110.455 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.578 ' O ' HG23 ' C' ' 30' ' ' VAL . 19.3 t80 -66.88 -47.98 70.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.944 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.416 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 49.5 mt-10 -56.98 -52.31 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.041 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -67.51 -49.66 62.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.645 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 60.8 t -62.78 -42.7 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.578 HG23 ' O ' ' C' ' 26' ' ' PHE . 64.9 t -71.21 -44.84 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.951 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -63.07 -46.04 89.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.619 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -63.23 -46.32 87.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.431 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.3 t80 -67.56 -46.35 72.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.773 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 39.2 m-85 -75.09 -33.25 61.61 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.41 -31.03 63.51 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.953 0.406 . . . . 0.0 110.911 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.91 -17.67 57.51 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.146 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.669 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.1 p30 -105.91 -21.73 13.08 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.97 13.29 1.79 Allowed Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.286 -0.959 . . . . 0.0 114.196 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.669 HG23 ' OD1' ' C' ' 37' ' ' ASN . 31.7 t -89.3 143.33 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 117.6 0.7 . . . . 0.0 110.779 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -157.27 -179.11 7.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.958 0.409 . . . . 0.0 111.091 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.5 -145.84 18.02 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -147.68 155.04 41.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.901 0.381 . . . . 0.0 111.008 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' TRP . . . . . 0.416 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 97.5 m95 -73.44 117.58 15.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.199 0.523 . . . . 0.0 111.29 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -111.13 141.87 44.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.326 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -69.88 145.02 52.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.923 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.55 159.69 33.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.17 126.02 27.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.4 143.93 27.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.1 0.476 . . . . 0.0 111.918 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -139.47 156.67 46.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.49 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -124.55 119.66 29.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 111.357 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 48.3 m -105.36 133.55 49.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.397 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -80.12 118.16 21.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 95.0 m -91.32 123.25 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.42 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.53 154.88 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 38.8 m -147.74 -67.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.059 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.23 123.06 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.375 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.425 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.0 m-85 -110.7 130.6 55.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.334 0.588 . . . . 0.0 112.185 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -106.42 126.23 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.617 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.52 HG12 HD12 ' D' ' 7' ' ' LEU . 22.0 t -142.18 128.0 18.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.963 0.411 . . . . 0.0 111.444 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -93.3 125.54 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.512 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.773 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.0 OUTLIER -135.09 113.99 11.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.212 179.062 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -154.86 110.26 3.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.799 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.91 -27.56 28.49 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.984 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 170.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p 55.72 170.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp -80.1 165.16 22.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -81.66 120.34 24.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.069 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.57 -61.63 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -153.19 132.89 13.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -86.2 153.9 21.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 14.6 m -140.62 -58.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.726 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 16.6 p -131.61 -73.76 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.793 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -71.95 124.07 24.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.75 44.77 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.57 HG12 ' HE2' ' C' ' 34' ' ' PHE . 3.5 m -99.66 87.48 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' D' ' 25' ' ' THR . 28.6 t70 -102.21 143.63 31.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.41 0.624 . . . . 0.0 111.7 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.22 -44.74 33.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.582 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.7 68.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.307 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.627 ' O ' HG23 ' D' ' 29' ' ' VAL . 99.0 m -62.23 -40.57 96.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.514 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.59 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.5 t80 -67.08 -48.3 68.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.832 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 49.2 mt-10 -56.75 -52.37 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.052 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -67.32 -49.68 63.13 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 61.3 t -62.91 -42.56 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.59 HG23 ' O ' ' D' ' 26' ' ' PHE . 65.3 t -71.23 -45.02 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.916 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.82 -46.22 88.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.584 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -63.3 -46.47 86.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.314 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.645 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.4 t80 -67.35 -46.46 73.33 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.754 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 39.2 m-85 -74.93 -33.33 61.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.36 -30.98 63.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.945 0.403 . . . . 0.0 111.024 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.1 -17.63 58.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.106 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.668 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.0 p30 -105.76 -21.88 13.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.95 13.34 1.79 Allowed Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.274 -0.965 . . . . 0.0 114.213 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.668 HG23 ' OD1' ' D' ' 37' ' ' ASN . 29.3 t -89.31 143.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 117.542 0.671 . . . . 0.0 110.732 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -157.21 -179.16 7.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 111.085 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.49 -145.88 18.03 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -147.79 155.05 41.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.847 0.356 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 43' ' ' TRP . . . . . 0.414 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 97.5 m95 -73.24 117.64 15.24 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.211 0.529 . . . . 0.0 111.411 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 65.0 p -111.02 141.79 44.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.416 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.1 144.87 51.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.857 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.34 159.7 33.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.06 126.35 28.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.55 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.79 144.1 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.132 0.492 . . . . 0.0 111.954 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -139.44 156.61 46.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.428 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -124.56 119.66 29.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.074 0.464 . . . . 0.0 111.375 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 49.7 m -105.26 133.59 49.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.392 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -80.09 118.04 21.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.0 m -91.41 123.29 34.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.408 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.44 154.77 7.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.956 0.408 . . . . 0.0 111.031 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 39.9 m -147.47 -67.87 0.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.843 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.032 179.805 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.41 121.62 31.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.127 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.598 ' CD2' HD13 ' B' ' 7' ' ' LEU . 41.1 m-85 -106.21 128.9 54.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.445 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.36 133.01 51.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -142.34 127.15 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -100.89 117.29 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 111.443 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -105.23 120.91 42.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.004 179.097 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -154.55 107.49 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.11 71.69 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.565 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -140.46 111.64 7.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.8 p -85.48 143.9 28.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.709 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tp -76.88 -33.17 57.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -116.11 165.76 12.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.33 -160.59 34.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.412 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -129.84 114.8 16.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -65.64 147.83 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -160.05 -54.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.0 p -104.84 81.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.031 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.91 121.23 15.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.792 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB1' ' HB3' ' B' ' 37' ' ' ASN . . . -92.24 -73.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.29 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.1 t -74.37 72.38 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.215 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 25' ' ' THR . 35.0 t70 -99.83 140.79 33.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.279 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.51 -41.49 53.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.544 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.13 71.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.356 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.3 m -63.85 -41.06 97.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.619 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.805 ' O ' HG23 ' A' ' 30' ' ' VAL . 40.9 t80 -66.81 -46.91 73.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.04 0.448 . . . . 0.0 111.009 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 3.2 tt0 -54.89 -50.8 67.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.258 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -67.08 -44.62 79.59 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 25' ' ' THR . 64.7 t -62.44 -41.34 91.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 26' ' ' PHE . 37.2 t -67.94 -47.11 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -62.62 -46.0 90.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.959 0.409 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.78 -40.59 92.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.761 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.594 ' HZ ' HG22 ' B' ' 25' ' ' THR . 4.5 t80 -68.35 -49.59 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.411 ' HA ' ' ND2' ' A' ' 37' ' ' ASN . 30.2 m-85 -76.78 -30.99 56.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -54.67 -31.06 57.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 111.186 178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -17.89 58.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.803 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 34' ' ' PHE . 4.9 m-80 -103.49 -19.93 14.22 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.0 15.85 3.06 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.501 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.6 t -88.99 142.73 12.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 117.234 0.517 . . . . 0.0 110.279 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -155.76 -177.48 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.43 . . . . 0.0 111.23 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.01 -145.21 18.15 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.259 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -148.61 155.96 41.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.934 0.397 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.443 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 83.6 m95 -73.13 121.02 19.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.394 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.7 p -113.02 138.43 49.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.363 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.84 142.61 53.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.617 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.66 158.73 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.701 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -66.32 131.73 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.724 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.45 141.98 34.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.044 0.45 . . . . 0.0 111.719 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.8 m -136.63 156.73 48.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.765 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -120.66 126.91 51.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.003 0.43 . . . . 0.0 111.231 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.2 m -115.29 129.93 56.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.42 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -81.04 121.19 25.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.557 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -96.52 122.22 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.061 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -71.04 155.59 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.216 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.1 m -148.53 -69.6 0.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.919 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.4 121.59 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.041 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.615 ' CD2' HD13 ' A' ' 7' ' ' LEU . 40.8 m-85 -106.2 128.87 54.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.509 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.31 132.86 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.32 127.12 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.685 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.5 mt -100.93 117.34 46.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 111.512 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.644 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.6 OUTLIER -105.05 121.16 43.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.067 179.063 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -155.48 114.9 3.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 0.0 111.354 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.46 79.87 0.91 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.565 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -78.63 142.42 37.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.795 0.331 . . . . 0.0 110.77 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.08 80.46 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.988 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt -152.29 179.72 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.768 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? 59.78 108.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.37 102.46 0.74 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.266 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -147.52 -177.43 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 111.027 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.0 t -60.32 164.95 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.423 ' O ' HG22 ' B' ' 18' ' ' THR . 1.9 p -61.83 -75.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.423 HG22 ' O ' ' B' ' 17' ' ' THR . 13.3 t 44.77 -167.87 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.98 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -65.52 -178.52 0.53 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.4 39.73 1.19 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.284 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t 48.21 77.03 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.397 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.458 ' O ' ' HB ' ' B' ' 25' ' ' THR . 33.8 t70 -99.01 140.06 33.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.378 0.608 . . . . 0.0 112.269 -179.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.401 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.68 -41.79 56.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.472 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.19 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.314 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.722 ' O ' HG23 ' B' ' 29' ' ' VAL . 14.9 m -63.88 -40.82 97.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.665 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.813 ' O ' HG23 ' B' ' 30' ' ' VAL . 41.0 t80 -66.99 -46.95 72.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.444 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 3.1 tt0 -54.87 -50.77 67.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.318 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -66.99 -44.76 79.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 25' ' ' THR . 64.6 t -62.36 -41.3 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.813 HG23 ' O ' ' B' ' 26' ' ' PHE . 36.2 t -67.96 -47.17 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -62.57 -45.92 90.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.975 0.417 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.87 -40.72 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.755 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.593 ' HZ ' HG22 ' A' ' 25' ' ' THR . 4.5 t80 -68.23 -49.48 60.38 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.401 ' CE2' ' CE2' ' B' ' 33' ' ' PHE . 30.1 m-85 -76.76 -31.1 56.85 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -54.67 -30.99 56.99 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.856 0.36 . . . . 0.0 111.219 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -17.74 58.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.836 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.433 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 4.4 m120 -103.62 -20.06 14.13 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.12 15.96 3.0 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.437 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.5 t -89.14 142.8 12.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 117.223 0.512 . . . . 0.0 110.176 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -155.81 -177.37 6.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.384 . . . . 0.0 111.121 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.92 -145.35 18.2 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.265 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -148.61 155.87 41.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.444 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 83.5 m95 -72.9 120.99 19.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.432 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 81.2 p -113.01 138.54 49.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.37 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -69.82 142.7 53.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.692 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.63 158.56 35.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.686 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -66.21 131.92 47.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.39 141.56 35.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.059 0.456 . . . . 0.0 111.689 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -136.39 156.67 48.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.735 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -120.64 127.09 51.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.033 0.444 . . . . 0.0 111.259 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 53.3 m -115.41 129.98 56.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.455 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -81.11 121.24 25.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.553 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -96.59 121.94 38.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.086 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.407 HG12 ' N ' ' B' ' 55' ' ' THR . 5.4 t -70.8 155.43 7.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.927 0.394 . . . . 0.0 111.204 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.407 ' N ' HG12 ' B' ' 54' ' ' VAL . 57.2 m -148.22 -69.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.917 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.749 0.309 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -89.5 121.69 31.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.597 ' CD2' HD13 ' D' ' 7' ' ' LEU . 41.0 m-85 -106.17 128.94 54.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.443 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.46 133.04 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -142.23 127.19 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.712 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -100.98 117.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.75 0.31 . . . . 0.0 111.559 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.6 OUTLIER -105.01 121.04 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.088 179.026 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -155.81 114.78 3.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.357 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.42 120.81 6.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.423 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -109.74 177.03 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.106 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p 54.36 178.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.635 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 tt -139.89 103.21 4.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.754 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -135.15 150.81 50.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.08 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.77 99.59 2.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.541 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.22 -176.2 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -75.19 -36.59 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.79 -66.09 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -155.97 -77.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 56.35 37.96 29.3 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.45 44.49 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.48 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t 48.4 77.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.456 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' C' ' 25' ' ' THR . 34.1 t70 -99.19 140.27 33.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.49 0.662 . . . . 0.0 112.163 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.67 -41.82 55.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.506 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.14 -31.04 71.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.289 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.713 ' O ' HG23 ' C' ' 29' ' ' VAL . 14.8 m -63.75 -41.01 98.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.68 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.838 ' O ' HG23 ' C' ' 30' ' ' VAL . 40.5 t80 -66.76 -47.14 73.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.091 0.472 . . . . 0.0 110.988 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 3.2 tt0 -54.79 -50.85 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.211 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -66.84 -44.98 79.64 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.713 HG23 ' O ' ' C' ' 25' ' ' THR . 64.0 t -62.21 -41.5 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.838 HG23 ' O ' ' C' ' 26' ' ' PHE . 37.0 t -68.01 -46.97 80.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -62.51 -46.1 89.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.962 0.41 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -65.78 -40.71 92.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.785 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.57 ' HZ ' HG22 ' D' ' 25' ' ' THR . 4.5 t80 -68.21 -49.54 60.12 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -76.68 -31.15 57.09 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -54.6 -30.98 56.19 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 111.284 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.98 -17.91 58.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.789 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -103.47 -20.01 14.2 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.16 15.84 3.02 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.56 -0.829 . . . . 0.0 113.468 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.02 142.82 12.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 117.227 0.514 . . . . 0.0 110.198 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -155.82 -177.39 6.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 111.179 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.78 -145.24 18.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.19 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -148.76 155.96 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.981 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 83.4 m95 -73.04 121.04 19.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.442 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -112.98 138.45 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.374 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.89 142.57 52.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.688 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.56 158.75 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.754 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -66.32 131.95 47.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.3 141.55 35.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.058 0.456 . . . . 0.0 111.664 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -136.36 156.67 48.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.736 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -120.81 126.92 51.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.061 0.458 . . . . 0.0 111.16 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 53.6 m -115.28 130.07 56.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.295 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -81.12 121.12 25.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.55 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -96.43 122.05 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.117 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.406 HG12 ' N ' ' C' ' 55' ' ' THR . 5.5 t -70.94 155.54 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.967 0.413 . . . . 0.0 111.14 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.406 ' N ' HG12 ' C' ' 54' ' ' VAL . 56.5 m -148.33 -69.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.088 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.863 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.721 0.296 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -89.46 121.5 31.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.613 ' CD2' HD13 ' C' ' 7' ' ' LEU . 40.8 m-85 -106.11 128.82 54.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.473 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -106.33 132.99 51.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.38 127.06 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.688 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mt -100.74 117.3 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 111.559 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.647 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.5 OUTLIER -105.23 121.14 43.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.064 179.06 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -155.03 110.01 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.0 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.29 66.7 0.57 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.629 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.15 41.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.969 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -111.26 178.76 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 65.4 mt -96.89 -37.66 10.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -123.23 128.04 49.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.851 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.24 -83.52 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.434 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.18 148.92 21.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 8.8 t -75.69 -38.52 58.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.03 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.87 174.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 20.4 p -95.91 -47.11 6.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.987 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.42 139.61 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.806 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.56 -55.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.977 0.418 . . . . 0.0 111.557 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 t -73.81 72.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.148 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' D' ' 25' ' ' THR . 35.0 t70 -100.03 140.84 33.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.31 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.45 -41.49 52.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.49 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.1 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.377 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.713 ' O ' HG23 ' D' ' 29' ' ' VAL . 15.2 m -63.74 -41.1 98.08 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.649 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.825 ' O ' HG23 ' D' ' 30' ' ' VAL . 40.6 t80 -66.76 -46.99 73.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.077 0.465 . . . . 0.0 110.999 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 3.2 tt0 -54.86 -50.88 67.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.187 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -66.95 -44.76 79.76 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.713 HG23 ' O ' ' D' ' 25' ' ' THR . 64.4 t -62.31 -41.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.825 HG23 ' O ' ' D' ' 26' ' ' PHE . 37.2 t -67.94 -47.08 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -62.64 -45.93 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.82 -40.61 92.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.838 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.577 ' HZ ' HG22 ' C' ' 25' ' ' THR . 4.5 t80 -68.39 -49.4 60.35 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.404 ' CE2' ' CE2' ' D' ' 33' ' ' PHE . 30.2 m-85 -76.8 -30.99 56.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -54.69 -31.06 57.36 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.935 0.398 . . . . 0.0 111.274 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.92 -17.89 58.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.842 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -103.58 -19.91 14.19 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.04 16.01 3.02 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.472 -0.871 . . . . 0.0 113.42 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.16 142.82 12.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 117.247 0.523 . . . . 0.0 110.174 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -155.83 -177.4 6.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 0.0 111.149 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.81 -145.18 18.2 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.133 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -148.81 155.95 41.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.378 . . . . 0.0 110.955 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 43' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 83.4 m95 -72.92 121.01 19.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.423 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.1 p -112.94 138.39 49.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.405 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -69.73 142.69 53.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.61 158.57 35.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -66.11 131.68 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.3 141.78 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.678 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 13.9 m -136.52 156.77 48.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.808 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -120.76 127.09 51.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.041 0.448 . . . . 0.0 111.182 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 53.0 m -115.37 130.04 56.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.51 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -81.21 121.17 25.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.466 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 94.2 m -96.53 122.04 39.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.1 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.41 HG12 ' N ' ' D' ' 55' ' ' THR . 5.4 t -70.86 155.63 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 111.172 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.41 ' N ' HG12 ' D' ' 54' ' ' VAL . 56.8 m -148.55 -69.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.079 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.877 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.777 0.322 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -88.83 122.21 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.401 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.534 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 40.7 m-85 -108.52 132.67 53.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 111.896 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -106.59 129.58 54.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.8 t -142.34 125.0 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.61 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.24 117.21 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.717 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.5 OUTLIER -111.98 122.27 47.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.188 178.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -155.79 107.45 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.67 63.76 3.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.309 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.9 mttt 63.37 124.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.7 p -104.94 69.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.783 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.78 -40.05 4.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.778 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? 58.55 104.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.33 -38.93 0.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.342 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -164.53 93.99 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.383 . . . . 0.0 110.756 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -64.29 135.41 56.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -120.27 -53.99 2.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -97.51 137.48 36.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -130.01 105.33 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.688 ' O ' HG21 ' A' ' 25' ' ' THR . . . -167.08 -66.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.068 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.447 HG13 ' HG ' ' A' ' 7' ' ' LEU . 5.9 t -78.99 59.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.457 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.7 t0 -102.7 146.49 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.325 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -51.09 -43.14 61.0 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.21 -30.24 68.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.216 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.688 HG21 ' O ' ' A' ' 20' ' ' ALA . 30.7 m -61.71 -37.88 85.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.002 0.43 . . . . 0.0 110.392 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.685 ' O ' HG23 ' A' ' 30' ' ' VAL . 16.0 t80 -68.32 -48.73 64.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.024 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.24 -53.64 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.293 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -67.8 -47.55 68.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.614 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 95.0 t -63.07 -41.81 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.7 t -69.74 -45.7 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -63.26 -45.15 92.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.03 0.443 . . . . 0.0 110.536 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -45.41 90.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.213 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.621 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 3.9 t80 -67.05 -47.08 72.43 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 38.1 m-85 -74.84 -32.88 62.04 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.45 -30.5 62.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.943 0.401 . . . . 0.0 111.085 178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -61.36 -17.47 54.1 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.359 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.628 ' OD1' HG23 ' A' ' 39' ' ' VAL . 20.6 p30 -107.78 -20.47 13.2 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.8 14.52 1.67 Allowed Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.246 -0.978 . . . . 0.0 114.235 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.628 HG23 ' OD1' ' A' ' 37' ' ' ASN . 21.7 t -89.73 143.53 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 117.651 0.726 . . . . 0.0 110.741 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -153.56 -178.2 6.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 111.049 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.94 -145.56 18.72 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.727 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -150.34 157.87 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.924 0.392 . . . . 0.0 111.135 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -72.9 119.9 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.236 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -113.71 139.98 48.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.524 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.03 142.57 50.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.92 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.56 160.34 32.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -66.07 132.23 48.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.337 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.38 139.79 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.085 0.469 . . . . 0.0 112.019 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -132.22 156.53 46.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.523 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -124.4 122.55 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.027 0.441 . . . . 0.0 111.287 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -109.46 128.36 55.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.194 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.05 113.55 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.247 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -91.69 124.57 35.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.364 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 55' ' ' THR . 7.3 t -71.44 156.77 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.186 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.892 HG22 ' HG2' ' A' ' 56' ' ' GLU . 60.0 m -143.93 -77.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.444 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.892 ' HG2' HG22 ' A' ' 55' ' ' THR . 6.4 pt-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.836 0.35 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -88.82 122.08 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.545 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.524 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 40.5 m-85 -108.67 132.53 53.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.274 0.559 . . . . 0.0 111.853 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -106.43 129.82 54.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.074 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.37 125.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.656 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 19.5 mt -98.42 117.26 43.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.734 0.302 . . . . 0.0 111.795 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -112.03 122.94 49.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.234 178.875 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -156.64 114.88 3.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.748 0.309 . . . . 0.0 111.396 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.91 -100.63 0.14 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.815 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? 64.2 92.99 0.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.911 0.386 . . . . 0.0 110.91 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.34 124.57 20.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.1 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 tt -114.86 -48.85 2.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -102.72 110.56 22.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.47 -126.14 1.73 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.603 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -128.89 171.02 12.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 16' ' ' THR . 5.0 t -66.32 110.63 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.814 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 66.5 p -147.53 160.41 42.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.052 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 8.6 t -115.42 174.98 5.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 59.24 91.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.207 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.84 29.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.473 HG13 ' HG ' ' B' ' 7' ' ' LEU . 16.6 t 53.87 65.06 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.665 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' B' ' 25' ' ' THR . 27.9 t0 -102.27 145.78 28.96 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.492 0.663 . . . . 0.0 112.148 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.534 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.27 -43.46 61.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.232 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.11 68.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.285 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' B' ' 29' ' ' VAL . 31.5 m -61.83 -37.8 85.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.439 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.679 ' O ' HG23 ' B' ' 30' ' ' VAL . 16.6 t80 -68.45 -48.63 64.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.962 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.45 -53.47 53.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.209 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -67.79 -47.58 68.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.621 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 90.7 t -63.01 -41.88 94.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.1 t -69.67 -45.78 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -63.12 -45.2 93.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -45.52 90.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.225 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.614 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.0 t80 -66.89 -47.12 72.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 37.8 m-85 -74.89 -32.81 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -56.45 -30.53 62.98 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.944 0.402 . . . . 0.0 111.122 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -61.34 -17.45 53.93 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.388 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.647 ' OD1' HG23 ' B' ' 39' ' ' VAL . 20.5 p30 -107.76 -20.07 13.33 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.17 14.81 1.75 Allowed Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.18 -1.01 . . . . 0.0 114.24 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.647 HG23 ' OD1' ' B' ' 37' ' ' ASN . 21.8 t -89.96 143.47 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 117.606 0.703 . . . . 0.0 110.672 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -153.39 -178.33 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.052 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.15 -145.64 18.69 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.781 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -150.32 157.81 43.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.84 0.353 . . . . 0.0 111.221 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -72.95 119.88 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.24 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.2 p -113.8 140.1 48.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.498 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.0 142.42 50.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.917 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.46 160.45 32.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.07 132.11 47.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.559 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.08 139.4 35.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.094 0.473 . . . . 0.0 111.822 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 10.0 m -132.1 156.59 46.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -124.64 122.2 36.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.065 0.459 . . . . 0.0 111.43 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 54.5 m -109.2 128.41 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.107 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -82.17 113.23 19.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.292 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -91.34 124.54 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.302 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.434 HG12 ' N ' ' B' ' 55' ' ' THR . 8.1 t -71.62 156.91 6.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.214 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.913 HG22 ' HG2' ' B' ' 56' ' ' GLU . 60.0 m -143.93 -77.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.354 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.913 ' HG2' HG22 ' B' ' 55' ' ' THR . 6.3 pt-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.957 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.759 0.314 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -88.76 122.19 31.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.593 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.519 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 40.6 m-85 -108.54 132.62 53.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.245 0.545 . . . . 0.0 111.904 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -106.61 129.69 54.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.34 124.95 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.622 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 18.6 mt -98.16 117.26 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.748 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.557 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.5 OUTLIER -111.92 122.81 48.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -156.59 111.09 2.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.62 109.52 3.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.583 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -93.73 114.99 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.729 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -86.87 115.92 24.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -82.29 159.46 23.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -101.38 98.95 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.781 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.77 -80.71 0.19 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.371 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -77.79 152.4 33.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 0.0 110.789 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -64.89 -50.23 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.13 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 12.8 p 55.7 174.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 44.9 p -134.33 132.69 39.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -75.37 140.35 42.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.471 ' O ' HG21 ' C' ' 25' ' ' THR . . . -143.01 -51.23 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.048 0.452 . . . . 0.0 111.183 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.475 HG13 ' HG ' ' C' ' 7' ' ' LEU . 11.2 t -75.87 62.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.458 ' O ' ' HB ' ' C' ' 25' ' ' THR . 29.9 t0 -102.51 146.36 28.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.43 0.633 . . . . 0.0 111.575 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.518 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -51.16 -43.29 61.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.119 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.08 -30.06 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.244 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.604 ' O ' HG23 ' C' ' 29' ' ' VAL . 30.9 m -61.85 -37.83 85.96 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.043 0.449 . . . . 0.0 110.457 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.664 ' O ' HG23 ' C' ' 30' ' ' VAL . 16.2 t80 -68.37 -48.77 63.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.941 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -54.24 -53.59 51.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.294 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -67.83 -47.47 68.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.608 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 90.4 t -63.06 -41.82 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.664 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.4 t -69.61 -45.7 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -63.3 -45.13 92.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.035 0.445 . . . . 0.0 110.616 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.55 -45.16 91.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.264 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.611 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 3.9 t80 -67.18 -47.11 71.95 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 38.5 m-85 -74.91 -32.91 61.92 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.44 -30.51 62.93 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.005 0.431 . . . . 0.0 111.114 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.32 -17.38 53.45 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.387 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.634 ' OD1' HG23 ' C' ' 39' ' ' VAL . 20.6 p30 -107.9 -20.26 13.25 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.49 14.52 1.73 Allowed Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.244 -0.979 . . . . 0.0 114.363 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.634 HG23 ' OD1' ' C' ' 37' ' ' ASN . 21.7 t -89.72 143.52 11.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 117.5 0.65 . . . . 0.0 110.694 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -153.61 -178.1 6.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.019 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.9 -145.51 18.71 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.784 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -150.31 157.86 43.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 111.151 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -73.04 120.05 18.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.235 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -113.86 140.02 48.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.541 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -70.91 142.31 51.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.94 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.27 160.44 32.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.23 132.42 48.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.37 139.54 36.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.082 0.468 . . . . 0.0 111.904 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 10.9 m -131.98 156.55 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.421 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -124.39 122.39 37.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 111.314 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 53.8 m -109.4 128.35 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.158 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -82.24 113.54 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -91.57 124.54 35.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.373 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.43 HG12 ' N ' ' C' ' 55' ' ' THR . 8.8 t -71.36 156.86 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 111.137 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.89 HG22 ' HG2' ' C' ' 56' ' ' GLU . 61.4 m -144.0 -77.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.409 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 56' ' ' GLU . . . . . 0.89 ' HG2' HG22 ' C' ' 55' ' ' THR . 6.4 pt-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.823 0.344 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -88.8 122.1 31.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.473 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.518 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 41.1 m-85 -108.58 132.65 53.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.212 0.53 . . . . 0.0 111.919 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -106.55 129.9 54.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 20.2 t -142.36 124.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.671 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 18.7 mt -98.39 117.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.769 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.6 OUTLIER -112.04 122.87 48.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.054 178.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -156.69 114.59 3.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.065 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.21 97.27 0.04 OUTLIER Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.948 -0.644 . . . . 0.0 113.151 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 18.1 tttt 62.1 144.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.937 0.399 . . . . 0.0 111.236 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 5.8 p -88.43 128.12 35.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.117 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 tp 58.01 99.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.333 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? 62.47 145.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.08 105.63 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.831 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 15' ' ' GLU . . . . . 0.43 ' O ' HG22 ' D' ' 16' ' ' THR . 66.1 mm-40 -134.36 161.39 35.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.589 0.233 . . . . 0.0 110.562 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 16' ' ' THR . . . . . 0.43 HG22 ' O ' ' D' ' 15' ' ' GLU . 15.1 t 44.46 36.63 1.73 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.762 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.79 164.58 13.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.903 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.65 159.34 29.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.039 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -94.3 140.74 29.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 20' ' ' ALA . . . . . 0.658 ' O ' HG21 ' D' ' 25' ' ' THR . . . -168.57 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.473 HG13 ' HG ' ' D' ' 7' ' ' LEU . 6.5 t -79.32 59.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.37 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' D' ' 25' ' ' THR . 31.1 t0 -102.69 146.32 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.365 0.602 . . . . 0.0 111.321 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.519 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -51.06 -43.19 60.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.12 68.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.305 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.658 HG21 ' O ' ' D' ' 20' ' ' ALA . 31.6 m -61.83 -37.92 86.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.086 0.47 . . . . 0.0 110.427 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.666 ' O ' HG23 ' D' ' 30' ' ' VAL . 16.3 t80 -68.33 -48.61 64.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.981 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.34 -53.48 53.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.282 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -67.88 -47.52 68.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.611 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 89.4 t -63.12 -41.82 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.666 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.1 t -69.61 -45.9 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -63.17 -45.15 93.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.941 0.401 . . . . 0.0 110.478 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -45.45 90.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.3 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.608 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 3.9 t80 -66.95 -47.19 72.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.557 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 38.1 m-85 -74.87 -32.86 61.98 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -56.4 -30.49 62.84 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.005 0.431 . . . . 0.0 111.107 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.41 -17.41 54.05 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.368 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.636 ' OD1' HG23 ' D' ' 39' ' ' VAL . 20.6 p30 -107.76 -20.06 13.33 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.31 14.62 1.75 Allowed Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.229 -0.986 . . . . 0.0 114.203 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.636 HG23 ' OD1' ' D' ' 37' ' ' ASN . 21.7 t -89.86 143.49 11.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 117.622 0.711 . . . . 0.0 110.718 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -153.53 -178.31 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.022 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.16 -145.8 18.71 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.844 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -150.15 157.75 43.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 111.21 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -72.98 120.05 18.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.254 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -113.86 140.01 48.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.559 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -71.04 142.58 50.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.883 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.55 160.26 32.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -66.0 132.42 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.466 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.66 139.83 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 111.952 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 10.3 m -132.13 156.63 46.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.612 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -124.59 121.99 36.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.988 0.423 . . . . 0.0 111.326 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -108.99 128.46 54.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.177 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.17 113.28 19.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -91.32 124.6 35.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.342 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.422 HG12 ' N ' ' D' ' 55' ' ' THR . 7.6 t -71.67 156.7 6.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 0.0 111.109 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.893 HG22 ' HG2' ' D' ' 56' ' ' GLU . 59.8 m -143.78 -77.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.416 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 56' ' ' GLU . . . . . 0.893 ' HG2' HG22 ' D' ' 55' ' ' THR . 6.3 pt-20 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.411 ' HG3' HG23 ' D' ' 49' ' ' THR . 13.9 pt20 -91.62 124.89 36.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.161 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 43.5 m-85 -108.84 133.57 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.231 0.538 . . . . 0.0 112.093 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -106.66 126.38 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.559 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 7' ' ' LEU . 18.4 t -141.8 130.01 21.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.607 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' B' ' 1' ' ' MET . 24.9 mt -95.61 123.07 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.348 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.81 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp -134.48 113.44 11.83 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -152.61 -60.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.926 0.394 . . . . 0.0 110.819 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.502 ' N ' HG23 ' A' ' 21' ' ' VAL . . . 128.03 -60.88 0.66 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.626 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.9 tttm 61.86 155.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.925 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 t -75.62 158.4 32.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.5 mm? -65.82 120.97 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -155.32 87.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.27 53.56 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.435 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -155.4 151.28 27.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 111.048 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -92.28 145.67 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p 55.38 -171.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -114.95 175.88 5.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -126.31 -173.7 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.597 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.97 51.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.349 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.576 HG12 ' HE2' ' B' ' 34' ' ' PHE . 3.9 m -98.68 84.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.859 0.362 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' A' ' 25' ' ' THR . 9.9 t70 -100.45 142.9 31.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.29 0.567 . . . . 0.0 111.441 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.0 -44.69 30.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.483 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.41 -28.51 67.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.322 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.6 m -61.81 -40.49 95.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.019 0.438 . . . . 0.0 110.511 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.652 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.2 t80 -66.9 -49.18 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.873 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.04 -53.8 52.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.2 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -65.9 -49.71 67.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.702 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 62.0 t -62.53 -41.54 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 26' ' ' PHE . 66.6 t -71.42 -46.12 65.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -62.88 -45.59 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.693 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -63.3 -46.03 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.042 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.704 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.9 t80 -67.65 -46.48 72.3 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.808 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 38.7 m-85 -74.82 -33.56 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.87 -31.02 62.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.012 0.434 . . . . 0.0 110.868 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.65 -18.3 58.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.08 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.5 p30 -105.02 -20.71 13.44 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.81 15.34 1.75 Allowed Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.106 -1.045 . . . . 0.0 114.049 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.662 HG23 ' OD1' ' A' ' 37' ' ' ASN . 30.3 t -90.12 143.07 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 117.34 0.57 . . . . 0.0 110.861 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -155.22 179.97 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.012 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.96 -144.66 17.97 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.399 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -148.73 156.16 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -73.32 118.9 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.065 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.1 p -111.61 139.91 46.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.747 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.85 141.11 49.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.491 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.51 160.1 33.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.646 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.69 136.86 56.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.469 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.05 138.4 44.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.181 0.515 . . . . 0.0 111.952 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.418 HG23 ' HG3' ' D' ' 2' ' ' GLN . 47.2 m -126.67 156.51 40.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.501 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -125.02 115.97 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -107.04 127.72 53.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.375 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -81.05 115.23 20.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.486 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -91.43 124.04 35.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.388 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 55' ' ' THR . 5.8 t -71.47 156.77 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 111.275 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.409 ' N ' HG12 ' A' ' 54' ' ' VAL . 57.9 m -148.19 -69.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.916 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.433 ' HG3' HG23 ' C' ' 49' ' ' THR . 13.7 pt20 -91.49 124.71 35.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.236 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 44.2 m-85 -108.79 133.5 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.224 0.535 . . . . 0.0 112.072 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -106.45 126.51 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.615 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.495 HG12 HD12 ' B' ' 7' ' ' LEU . 18.3 t -141.92 129.87 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 111.586 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 1' ' ' MET . 25.6 mt -95.52 123.24 47.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.273 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.808 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp -134.56 113.0 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -153.61 -63.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.059 0.456 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.43 ' N ' HG23 ' B' ' 21' ' ' VAL . . . 170.9 -91.2 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.301 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp 56.6 102.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 111.056 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -141.15 148.33 39.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.85 149.27 45.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -76.21 86.12 3.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.52 -51.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.451 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.26 143.96 25.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.778 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.456 ' O ' HG23 ' B' ' 17' ' ' THR . 5.1 m -97.81 112.23 24.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.456 HG23 ' O ' ' B' ' 16' ' ' THR . 3.3 p -157.91 171.87 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.5 p -85.98 -73.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -176.6 152.73 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 37' ' ' ASN . . . -108.25 -46.72 3.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.565 HG12 ' HE2' ' A' ' 34' ' ' PHE . 3.4 m -96.43 85.37 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.685 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.457 ' O ' ' HB ' ' B' ' 25' ' ' THR . 10.1 t70 -100.27 142.62 31.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.555 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.96 -44.62 30.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.419 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.48 -28.51 67.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.384 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.589 ' O ' HG23 ' B' ' 29' ' ' VAL . 93.6 m -61.89 -40.55 95.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.404 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.643 ' HB2' HD22 ' B' ' 7' ' ' LEU . 19.1 t80 -66.78 -49.31 66.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.8 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -55.91 -53.85 51.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.175 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -65.99 -49.49 67.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.704 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 61.3 t -62.61 -41.63 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 26' ' ' PHE . 67.6 t -71.24 -46.42 65.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -62.68 -45.56 92.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.389 . . . . 0.0 110.718 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -63.29 -46.0 88.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.154 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.702 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.9 t80 -67.62 -46.58 72.11 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.81 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 38.6 m-85 -74.85 -33.53 62.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.86 -30.87 62.18 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.988 0.423 . . . . 0.0 110.84 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.82 -18.37 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.988 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.682 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.6 p30 -104.96 -20.73 13.45 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.82 15.04 1.79 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.102 -1.047 . . . . 0.0 114.087 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.682 HG23 ' OD1' ' B' ' 37' ' ' ASN . 30.1 t -89.91 142.98 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 117.346 0.573 . . . . 0.0 110.921 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -155.16 179.86 8.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.081 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.26 -144.56 17.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -148.92 156.08 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.28 118.76 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.2 p -111.46 139.89 46.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.79 141.18 49.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.525 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.56 160.17 33.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.67 136.77 56.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.55 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.89 138.37 43.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.142 0.496 . . . . 0.0 111.914 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.419 HG23 ' HG3' ' C' ' 2' ' ' GLN . 47.9 m -126.64 156.61 40.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.473 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -125.08 115.93 21.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.013 0.435 . . . . 0.0 111.079 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 55.4 m -107.1 127.87 53.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.319 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -81.04 115.13 20.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.503 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.9 m -91.38 123.93 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.356 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.423 HG12 ' N ' ' B' ' 55' ' ' THR . 6.0 t -71.4 156.83 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 0.0 111.24 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.423 ' N ' HG12 ' B' ' 54' ' ' VAL . 58.2 m -148.36 -69.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.95 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.426 ' O ' ' HA ' ' D' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.419 ' HG3' HG23 ' B' ' 49' ' ' THR . 13.7 pt20 -91.67 124.88 36.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.225 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.431 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 43.6 m-85 -108.78 133.47 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.277 0.561 . . . . 0.0 112.09 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -106.52 126.43 52.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.527 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.508 HG12 HD12 ' C' ' 7' ' ' LEU . 18.9 t -141.9 129.91 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.493 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' D' ' 1' ' ' MET . 25.2 mt -95.55 123.13 47.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.344 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.798 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp -134.55 113.25 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -152.69 -63.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.027 0.441 . . . . 0.0 111.154 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLY . . . . . 0.428 ' N ' HG23 ' C' ' 21' ' ' VAL . . . 108.4 133.37 6.94 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.304 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -117.22 105.13 11.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.81 169.1 11.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 mt 60.8 83.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -171.75 42.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.744 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.95 173.46 48.57 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.54 35.89 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.953 0.406 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -85.14 -45.12 12.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.024 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -118.29 -177.84 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -137.07 -62.24 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.018 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 60.7 166.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.02 61.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.578 HG12 ' HE2' ' D' ' 34' ' ' PHE . 4.0 m -101.62 85.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.625 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' C' ' 25' ' ' THR . 9.8 t70 -100.86 142.88 31.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.283 0.563 . . . . 0.0 111.455 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.03 -44.72 31.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.455 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.4 -28.42 67.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.379 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.598 ' O ' HG23 ' C' ' 29' ' ' VAL . 93.9 m -61.86 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 110.415 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.641 ' HB2' HD22 ' C' ' 7' ' ' LEU . 19.3 t80 -67.05 -49.26 65.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.773 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -55.94 -53.94 50.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.162 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -65.94 -49.81 66.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.683 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 61.3 t -62.37 -41.47 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.623 HG23 ' O ' ' C' ' 26' ' ' PHE . 70.9 t -71.45 -46.08 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -62.85 -45.67 91.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.938 0.399 . . . . 0.0 110.729 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -63.11 -46.18 88.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.686 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.0 t80 -67.46 -46.59 72.6 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 38.6 m-85 -74.88 -33.55 62.09 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.85 -30.92 62.24 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.801 178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -61.77 -18.3 59.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.997 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.681 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.7 p30 -105.0 -20.79 13.42 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.79 15.3 1.76 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.099 -1.048 . . . . 0.0 114.051 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.681 HG23 ' OD1' ' C' ' 37' ' ' ASN . 30.6 t -90.04 142.89 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 117.377 0.588 . . . . 0.0 110.917 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -155.17 179.92 8.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.925 0.393 . . . . 0.0 111.04 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.1 -144.62 17.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.359 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -148.89 156.07 41.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.906 0.384 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.25 118.76 16.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 66.3 p -111.36 139.86 46.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.735 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -71.77 141.07 49.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.51 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.55 160.16 33.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.655 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.66 136.89 56.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.498 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.97 138.27 44.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.057 0.456 . . . . 0.0 111.984 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 49' ' ' THR . . . . . 0.433 HG23 ' HG3' ' B' ' 2' ' ' GLN . 46.8 m -126.61 156.58 40.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.433 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -125.0 115.88 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -107.02 127.8 53.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.414 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -81.05 115.25 20.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.641 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 88.4 m -91.46 124.01 35.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.371 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.413 HG12 ' N ' ' C' ' 55' ' ' THR . 5.8 t -71.46 156.71 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 111.283 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.413 ' N ' HG12 ' C' ' 54' ' ' VAL . 57.3 m -148.2 -68.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.423 ' O ' ' HA ' ' C' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 2' ' ' GLN . . . . . 0.418 ' HG3' HG23 ' A' ' 49' ' ' THR . 13.9 pt20 -91.66 124.7 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.145 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.439 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 43.8 m-85 -108.61 133.46 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.227 0.537 . . . . 0.0 112.067 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -106.53 126.39 52.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.596 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.486 HG12 HD12 ' D' ' 7' ' ' LEU . 18.3 t -141.78 129.92 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.601 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 6' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' C' ' 1' ' ' MET . 26.0 mt -95.55 123.19 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.358 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.809 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.1 mp -134.56 113.4 11.73 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -152.73 -63.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 110.994 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' GLY . . . . . 0.45 ' N ' HG23 ' D' ' 21' ' ' VAL . . . 128.71 -62.9 0.63 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.433 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -90.16 125.14 35.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 2.1 m -137.79 31.92 2.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.51 37.7 25.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.244 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -139.18 45.22 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.99 0.424 . . . . 0.0 110.773 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.68 -171.92 17.74 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -160.31 40.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.731 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 16' ' ' THR . . . . . 0.692 HG22 HG23 ' D' ' 17' ' ' THR . 43.9 m -66.76 121.72 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.158 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 17' ' ' THR . . . . . 0.692 HG23 HG22 ' D' ' 16' ' ' THR . 16.5 p 54.76 179.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.414 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -70.31 165.02 23.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.062 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -68.52 132.32 46.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 20' ' ' ALA . . . . . 0.433 ' HB1' ' HB2' ' C' ' 37' ' ' ASN . . . -97.16 -35.55 10.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.255 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.58 HG12 ' HE2' ' C' ' 34' ' ' PHE . 3.4 m -93.59 84.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' D' ' 25' ' ' THR . 10.2 t70 -100.08 142.74 31.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.511 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.07 -44.5 31.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.512 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.49 67.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.346 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.6 ' O ' HG23 ' D' ' 29' ' ' VAL . 94.7 m -61.74 -40.61 95.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.458 . . . . 0.0 110.485 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.637 ' HB2' HD22 ' D' ' 7' ' ' LEU . 19.3 t80 -66.86 -49.22 66.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 27' ' ' GLU . . . . . 0.401 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 51.7 mt-10 -56.04 -53.79 52.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.196 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -66.06 -49.48 67.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.686 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 61.6 t -62.56 -41.64 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.634 HG23 ' O ' ' D' ' 26' ' ' PHE . 67.7 t -71.26 -46.25 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -62.79 -45.63 91.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.635 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -63.32 -45.93 89.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.683 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.9 t80 -67.61 -46.56 72.2 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 38.5 m-85 -74.87 -33.58 62.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -55.85 -30.89 62.19 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.983 0.42 . . . . 0.0 110.881 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -61.81 -18.42 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.919 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.67 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.6 p30 -104.91 -20.58 13.51 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.81 14.97 1.8 Allowed Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.098 -1.048 . . . . 0.0 114.058 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.67 HG23 ' OD1' ' D' ' 37' ' ' ASN . 29.5 t -90.0 142.99 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 117.446 0.623 . . . . 0.0 110.88 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -155.14 -179.98 8.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.99 -144.66 17.97 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -148.8 156.13 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 43' ' ' TRP . . . . . 0.401 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 94.1 m95 -73.34 118.9 16.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.024 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -111.5 139.93 46.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.717 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.75 141.05 49.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.508 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.49 160.08 33.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.667 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.56 136.93 56.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.63 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.9 138.4 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.969 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 49' ' ' THR . . . . . 0.411 HG23 ' HG3' ' A' ' 2' ' ' GLN . 47.6 m -126.85 156.54 41.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.42 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -124.99 115.96 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.385 . . . . 0.0 111.231 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -107.04 127.87 53.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.37 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -81.18 115.3 20.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.51 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 82.6 m -91.57 123.93 35.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.33 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.416 HG12 ' N ' ' D' ' 55' ' ' THR . 5.8 t -71.47 156.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.942 0.401 . . . . 0.0 111.268 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.416 ' N ' HG12 ' D' ' 54' ' ' VAL . 57.6 m -147.94 -68.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.96 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.729 0.299 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -89.4 122.61 32.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.468 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.44 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 41.4 m-85 -110.53 135.26 51.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.479 0.657 . . . . 0.0 112.375 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -106.49 132.65 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.774 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.534 HG12 HD12 ' A' ' 7' ' ' LEU . 21.3 t -142.2 127.56 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 mt -98.58 125.19 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.478 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.777 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.9 mp -134.36 115.02 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -92.0 111.51 23.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 111.119 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.56 52.16 1.34 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -164.89 148.68 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 m -113.49 141.14 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.18 -35.36 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.756 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -82.04 126.3 31.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.87 63.26 4.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -136.6 166.98 22.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 16' ' ' THR . 9.1 t -69.92 117.57 11.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -147.4 164.91 31.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 p -102.33 145.33 29.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.971 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -76.21 172.76 12.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.71 -77.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.196 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.443 HG12 ' CE2' ' B' ' 34' ' ' PHE . 12.1 m -84.27 68.85 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.345 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' A' ' 25' ' ' THR . 1.9 m-20 -102.17 145.59 29.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -49.42 -43.72 44.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.14 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.58 -29.46 68.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.347 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.634 ' O ' HG23 ' A' ' 29' ' ' VAL . 73.9 m -62.56 -39.95 95.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.4 t80 -67.42 -43.69 80.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.722 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 2.6 tt0 -58.53 -53.93 52.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.25 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -68.17 -46.72 69.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 25' ' ' THR . 60.5 t -63.36 -43.36 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 26' ' ' PHE . 48.5 t -72.12 -43.91 65.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -63.45 -46.48 86.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 110.79 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -64.18 -44.66 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.386 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.621 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 5.1 t80 -67.8 -47.68 68.41 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 40.8 m-85 -74.22 -32.81 63.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -56.83 -30.42 63.75 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.104 0.478 . . . . 0.0 110.734 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.54 -18.38 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.912 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.733 ' OD1' HG23 ' A' ' 39' ' ' VAL . 20.6 p30 -105.99 -21.74 13.07 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.45 13.92 1.81 Allowed Glycine 0 CA--C 1.521 0.406 0 C-N-CA 120.166 -1.016 . . . . 0.0 114.021 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.733 HG23 ' OD1' ' A' ' 37' ' ' ASN . 25.3 t -89.12 143.31 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 117.294 0.547 . . . . 0.0 110.83 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.85 -179.49 8.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.996 0.427 . . . . 0.0 111.245 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.98 -145.11 18.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.404 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -147.78 154.81 40.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.378 . . . . 0.0 111.034 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.459 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 89.8 m95 -74.05 118.68 17.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.182 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.0 p -110.38 141.51 43.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.527 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.22 141.16 52.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.479 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.28 160.95 31.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.009 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -65.67 127.45 31.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.565 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.55 144.05 27.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.794 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -140.77 156.35 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.287 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -121.81 123.73 42.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.019 0.437 . . . . 0.0 111.283 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -106.93 131.05 54.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.405 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -80.56 119.44 23.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -94.51 124.0 38.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.354 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 55' ' ' THR . 6.1 t -70.98 156.04 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.424 . . . . 0.0 111.196 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.402 ' N ' HG12 ' A' ' 54' ' ' VAL . 42.6 m -149.54 -67.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.904 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -89.27 122.53 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.457 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.437 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 41.7 m-85 -110.35 135.2 51.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.483 0.658 . . . . 0.0 112.308 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -106.53 132.68 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.729 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.536 HG12 HD12 ' B' ' 7' ' ' LEU . 21.4 t -142.24 127.44 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 22.2 mt -98.43 125.25 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.366 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.78 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mp -134.34 114.79 13.34 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -91.78 107.61 19.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 111.056 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.99 58.03 0.89 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.596 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -159.78 78.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.04 152.12 43.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.681 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 mt -101.29 76.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -114.53 92.35 3.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.71 -135.8 3.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.638 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.447 ' O ' HG22 ' B' ' 16' ' ' THR . 23.9 mt-10 60.27 35.18 20.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.82 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.447 HG22 ' O ' ' B' ' 15' ' ' GLU . 15.1 t 44.37 35.75 1.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.893 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 19.3 m -94.1 -47.3 6.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.628 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 20.4 p 54.31 -174.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.537 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 62.73 119.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' B' ' 21' ' ' VAL . . . -172.29 58.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.439 HG12 ' HE2' ' A' ' 34' ' ' PHE . 5.2 m 44.43 72.98 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.469 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' B' ' 25' ' ' THR . 2.0 m-20 -101.92 145.17 29.62 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.825 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -49.66 -43.89 47.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.126 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.27 -29.47 69.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.383 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.637 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.0 m -62.76 -39.82 95.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.654 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.4 t80 -67.44 -43.9 80.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.723 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 2.6 tt0 -58.32 -53.95 52.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.365 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -68.19 -46.72 69.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 25' ' ' THR . 60.0 t -63.34 -43.27 98.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 26' ' ' PHE . 48.9 t -72.18 -43.93 65.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -63.54 -46.35 86.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -64.21 -44.58 91.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.453 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.2 t80 -67.8 -47.72 68.29 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.777 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 40.7 m-85 -74.27 -32.74 63.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -56.85 -30.52 63.88 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.029 0.442 . . . . 0.0 110.694 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -61.52 -18.42 59.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.898 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.73 ' OD1' HG23 ' B' ' 39' ' ' VAL . 20.6 p30 -105.92 -21.91 13.04 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.68 13.66 1.8 Allowed Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.975 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.73 HG23 ' OD1' ' B' ' 37' ' ' ASN . 25.2 t -88.96 143.35 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.331 0.565 . . . . 0.0 110.877 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -157.85 -179.34 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.76 -144.9 18.14 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.403 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -147.97 154.7 40.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.918 0.39 . . . . 0.0 111.005 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 89.7 m95 -73.83 118.6 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.5 p -110.36 141.52 43.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.398 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -70.25 140.99 52.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.394 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.08 160.99 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -65.63 127.3 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.14 143.6 26.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.671 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.9 m -140.63 156.31 46.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.276 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -121.72 123.93 43.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.461 . . . . 0.0 111.359 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 54.6 m -107.13 130.99 54.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.409 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -80.57 119.44 23.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.377 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 87.6 m -94.52 124.03 38.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 55' ' ' THR . 6.2 t -70.86 156.13 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.412 ' N ' HG12 ' B' ' 54' ' ' VAL . 43.2 m -149.66 -67.66 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.872 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.762 0.315 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.3 122.61 32.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.445 ' CD2' ' CD2' ' D' ' 26' ' ' PHE . 41.7 m-85 -110.46 135.28 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.389 0.614 . . . . 0.0 112.438 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -106.52 132.57 52.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' VAL . . . . . 0.531 HG12 HD12 ' C' ' 7' ' ' LEU . 21.3 t -142.21 127.51 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 22.6 mt -98.45 125.21 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.788 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.9 mp -134.35 114.92 13.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -91.74 112.04 23.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 111.279 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.74 79.01 1.45 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.443 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -80.61 144.83 32.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' THR . . . . . 0.544 HG23 ' O ' ' C' ' 11' ' ' THR . 11.1 t -159.2 107.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 53.1 mt -143.18 161.91 37.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.92 109.24 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.65 -48.16 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.301 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 60.12 35.83 21.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.738 0.304 . . . . 0.0 111.178 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 12.5 m -103.76 88.94 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.815 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 6.8 p 57.84 -176.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 22.1 p 54.39 81.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -176.0 102.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.72 -44.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.61 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.43 HG12 ' CE2' ' D' ' 34' ' ' PHE . 12.2 m -80.89 68.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.068 0.461 . . . . 0.0 111.326 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.448 ' O ' ' HB ' ' C' ' 25' ' ' THR . 1.9 m-20 -102.29 145.63 29.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.186 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.419 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -49.36 -43.78 44.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.031 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.54 -29.54 68.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.302 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.636 ' O ' HG23 ' C' ' 29' ' ' VAL . 71.6 m -62.7 -39.87 95.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.65 ' O ' HG23 ' C' ' 30' ' ' VAL . 19.4 t80 -67.33 -43.85 80.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.804 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 2.6 tt0 -58.35 -53.96 52.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.347 -179.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -68.22 -46.66 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 60.0 t -63.31 -43.31 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' C' ' 26' ' ' PHE . 48.7 t -72.13 -43.93 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.51 -46.37 86.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -64.34 -44.65 90.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.341 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.622 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.1 t80 -67.65 -47.72 68.74 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.776 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 40.2 m-85 -74.37 -32.74 62.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -56.86 -30.48 63.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.05 0.452 . . . . 0.0 110.703 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.58 -18.35 58.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.87 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.737 ' OD1' HG23 ' C' ' 39' ' ' VAL . 20.5 p30 -105.89 -21.95 13.04 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.54 13.91 1.8 Allowed Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.959 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.737 HG23 ' OD1' ' C' ' 37' ' ' ASN . 25.2 t -89.16 143.37 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.323 0.561 . . . . 0.0 110.794 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.92 -179.43 8.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.81 -145.14 18.2 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.407 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -147.8 154.73 40.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.895 0.379 . . . . 0.0 111.073 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' TRP . . . . . 0.453 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 89.7 m95 -73.81 118.64 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -110.44 141.48 43.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.451 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -70.19 141.07 52.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.484 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.25 161.01 31.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.989 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.8 127.48 32.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.53 143.77 28.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.764 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 6.7 m -140.57 156.37 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.23 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -121.74 123.89 42.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 0.0 111.309 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -107.03 130.95 54.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.347 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.48 119.42 23.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.349 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 86.4 m -94.36 124.02 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.395 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.408 HG12 ' N ' ' C' ' 55' ' ' THR . 6.2 t -70.99 156.14 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.945 0.402 . . . . 0.0 111.2 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.408 ' N ' HG12 ' C' ' 54' ' ' VAL . 44.9 m -149.73 -67.53 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.88 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.804 0.335 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -89.29 122.52 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.431 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 41.4 m-85 -110.39 135.22 51.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.397 0.617 . . . . 0.0 112.32 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -106.57 132.63 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.705 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' VAL . . . . . 0.549 HG12 HD12 ' D' ' 7' ' ' LEU . 21.3 t -142.2 127.53 17.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 22.5 mt -98.46 125.21 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.345 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.776 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.9 mp -134.34 114.71 13.25 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -93.25 112.12 23.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.707 0.289 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.97 43.94 1.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.664 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -119.66 154.5 33.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.397 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -125.11 90.0 3.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.663 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tp -98.35 153.54 18.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.152 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -64.08 105.53 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.62 -117.92 0.42 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -127.78 32.12 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 14.1 m -97.12 123.79 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.788 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 -51.9 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -99.63 175.22 5.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.113 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -167.37 92.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.803 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.53 -32.6 9.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.177 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.441 HG12 ' CE2' ' C' ' 34' ' ' PHE . 10.8 m -79.06 68.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.144 0.497 . . . . 0.0 110.822 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' D' ' 25' ' ' THR . 1.9 m-20 -102.02 145.51 29.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.143 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.415 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -49.36 -43.82 44.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.114 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.46 68.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.382 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.636 ' O ' HG23 ' D' ' 29' ' ' VAL . 75.0 m -62.59 -40.03 95.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.65 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.3 t80 -67.28 -43.8 80.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.723 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 27' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 2.6 tt0 -58.31 -53.98 52.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.294 -179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -68.32 -46.64 69.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.636 HG23 ' O ' ' D' ' 25' ' ' THR . 60.3 t -63.43 -43.29 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' D' ' 26' ' ' PHE . 48.6 t -72.19 -43.77 65.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.67 -46.28 86.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -64.26 -44.58 91.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.433 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.2 t80 -67.83 -47.71 68.23 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 40.5 m-85 -74.25 -32.75 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -56.93 -30.34 63.91 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.011 0.434 . . . . 0.0 110.751 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.69 -18.28 58.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.946 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.735 ' OD1' HG23 ' D' ' 39' ' ' VAL . 20.5 p30 -105.88 -21.95 13.04 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.66 13.76 1.79 Allowed Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.134 -1.031 . . . . 0.0 113.936 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.735 HG23 ' OD1' ' D' ' 37' ' ' ASN . 25.0 t -89.04 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.354 0.577 . . . . 0.0 110.861 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.81 -179.23 7.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 111.219 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.68 -145.05 18.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -147.88 154.68 40.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 110.978 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 43' ' ' TRP . . . . . 0.461 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 89.7 m95 -73.86 118.68 17.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.198 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -110.35 141.53 43.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.412 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -70.21 141.15 52.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.511 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.17 160.94 31.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.993 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -65.67 127.33 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.36 144.0 26.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.775 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -140.85 156.27 46.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.284 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -121.68 123.89 42.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.004 0.43 . . . . 0.0 111.3 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -107.12 130.91 54.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.443 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -80.36 119.45 23.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.391 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.9 m -94.51 124.05 38.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.4 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.404 HG12 ' N ' ' D' ' 55' ' ' THR . 6.1 t -70.97 156.02 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 111.152 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.404 ' N ' HG12 ' D' ' 54' ' ' VAL . 43.1 m -149.5 -67.63 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.863 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.35 124.4 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.423 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.516 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 39.2 m-85 -108.96 125.84 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.22 0.533 . . . . 0.0 111.945 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -106.65 120.99 43.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.503 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.18 129.36 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.726 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.1 mt -92.69 117.13 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.886 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.66 HD11 ' CE1' ' B' ' 34' ' ' PHE . 5.5 tp -134.44 111.87 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.795 0.331 . . . . 0.0 111.013 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -154.59 -48.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.52 75.16 1.24 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.55 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -96.62 129.99 43.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 t -109.76 157.91 18.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.1 34.17 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp 63.16 122.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 145.2 -161.71 28.15 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.559 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -70.05 122.05 18.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -81.54 -48.99 11.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.818 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 18' ' ' THR . 11.7 m 67.92 -68.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.237 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 17' ' ' THR . 1.8 t -169.4 132.62 1.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.953 0.406 . . . . 0.0 111.266 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -167.95 145.87 4.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.568 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -167.23 42.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.287 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 21' ' ' VAL . 10.8 m -93.05 83.51 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.935 0.398 . . . . 0.0 111.056 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 25' ' ' THR . 8.1 t70 -102.43 142.33 33.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.384 0.611 . . . . 0.0 111.672 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.52 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -53.51 -42.14 67.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.17 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.31 -32.17 73.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.9 m -62.89 -36.26 82.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.118 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 30' ' ' VAL . 29.5 t80 -64.72 -47.22 79.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.789 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.98 -49.51 77.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.875 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.0 -49.91 63.87 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.652 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 62.3 t -63.93 -43.3 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.0 t -69.76 -45.54 77.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.055 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -65.11 -44.83 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.016 0.436 . . . . 0.0 110.572 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -64.8 -43.67 92.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.424 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.645 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.23 -46.72 72.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.663 ' CE1' HD11 ' B' ' 7' ' ' LEU . 30.5 m-85 -78.33 -32.01 48.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -53.81 -29.27 39.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 111.061 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -61.53 -17.34 54.42 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.961 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.501 ' OD1' HG23 ' A' ' 39' ' ' VAL . 10.4 p30 -103.69 -19.08 14.45 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.53 15.43 2.21 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.197 -1.001 . . . . 0.0 113.914 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.501 HG23 ' OD1' ' A' ' 37' ' ' ASN . 28.3 t -89.16 143.26 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 117.128 0.464 . . . . 0.0 110.873 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -154.54 -178.87 7.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.416 . . . . 0.0 111.169 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.31 -144.32 18.0 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.286 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.48 156.77 42.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -73.19 119.36 17.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -112.73 140.22 47.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.602 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -71.87 146.25 48.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.725 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.69 155.77 40.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -67.02 137.2 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 137.36 45.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.08 0.467 . . . . 0.0 111.767 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.3 m -132.29 156.49 46.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.579 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 147.21 41.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.937 0.399 . . . . 0.0 111.138 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -141.01 125.36 17.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.181 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.34 117.31 21.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.482 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.2 m -92.57 123.4 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.257 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.67 155.97 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 111.072 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.4 m -147.93 -70.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.918 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.34 124.45 33.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.52 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 39.2 m-85 -108.94 125.9 52.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.224 0.535 . . . . 0.0 111.967 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -106.65 120.86 43.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.495 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.09 129.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.03 0.443 . . . . 0.0 111.629 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 33.7 mt -92.66 117.18 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.87 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.663 HD11 ' CE1' ' A' ' 34' ' ' PHE . 5.5 tp -134.53 111.81 10.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.371 . . . . 0.0 110.992 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -154.71 -47.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.034 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.38 70.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.331 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.08 88.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.74 0.305 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -66.32 163.23 18.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.75 -32.9 52.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -143.98 124.76 14.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.12 -93.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 62.57 37.13 13.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 13.2 m -97.08 -48.08 5.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.801 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -75.45 148.55 38.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 33.1 p -87.75 156.12 19.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.042 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.26 177.62 9.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.665 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.18 25.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.746 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.46 HG23 ' O ' ' B' ' 21' ' ' VAL . 11.2 m -93.21 83.0 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 0.0 111.24 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' B' ' 25' ' ' THR . 8.1 t70 -102.31 142.27 33.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.281 0.562 . . . . 0.0 111.73 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.516 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -53.57 -41.99 67.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.269 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.35 -32.2 73.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.511 ' O ' HG23 ' B' ' 29' ' ' VAL . 30.2 m -63.0 -36.1 82.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.126 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.609 ' O ' HG23 ' B' ' 30' ' ' VAL . 29.3 t80 -64.77 -47.27 78.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.768 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.97 -49.49 77.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.884 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.02 -49.86 63.93 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.645 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 63.1 t -64.06 -43.25 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 26' ' ' PHE . 61.5 t -69.84 -45.48 76.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.367 -0.378 . . . . 0.0 112.005 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -65.15 -44.82 87.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 110.566 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -64.78 -43.6 92.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.541 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.652 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.7 t80 -67.29 -46.74 72.68 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.66 ' CE1' HD11 ' A' ' 7' ' ' LEU . 30.6 m-85 -78.24 -31.95 49.46 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -53.86 -29.26 40.53 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.95 0.405 . . . . 0.0 111.07 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -61.61 -17.33 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.93 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.5 ' OD1' HG23 ' B' ' 39' ' ' VAL . 10.4 p30 -103.72 -18.93 14.49 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.35 15.5 2.24 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.903 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.5 HG23 ' OD1' ' B' ' 37' ' ' ASN . 28.7 t -89.11 143.21 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.169 0.485 . . . . 0.0 110.892 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -154.63 -178.95 7.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.402 . . . . 0.0 111.22 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.42 -144.36 17.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.239 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -149.43 156.71 42.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -73.1 119.39 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -112.74 140.23 47.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.611 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.88 146.3 47.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.721 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.76 155.72 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -66.94 137.1 56.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.629 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.73 137.3 44.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.014 0.435 . . . . 0.0 111.798 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.1 m -132.29 156.46 46.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.673 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.78 147.39 41.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.971 0.415 . . . . 0.0 111.133 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 42.3 m -141.1 125.35 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.201 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.34 117.32 21.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.507 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -92.47 123.34 35.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.341 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.404 HG12 ' N ' ' B' ' 55' ' ' THR . 5.3 t -70.68 156.19 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 111.047 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.404 ' N ' HG12 ' B' ' 54' ' ' VAL . 69.5 m -148.1 -69.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.936 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.781 0.325 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.3 124.46 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.34 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.498 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 39.1 m-85 -109.07 125.85 52.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.361 0.601 . . . . 0.0 111.965 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -106.67 120.86 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.51 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.07 129.38 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.647 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.3 mt -92.78 117.19 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.831 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.65 HD11 ' CE1' ' D' ' 34' ' ' PHE . 5.5 tp -134.5 111.77 10.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.015 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -153.7 -46.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.76 40.66 2.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.684 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -174.83 120.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 111.057 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 17.5 p -134.41 107.33 7.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 61.53 104.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 tttp 62.53 149.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.93 -173.95 42.94 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -133.51 -179.83 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' THR . . . . . 0.45 HG23 ' O ' ' C' ' 16' ' ' THR . 4.2 t -79.57 82.85 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.07 157.81 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -105.51 143.34 33.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.716 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -110.97 -178.02 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.258 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' D' ' 37' ' ' ASN . . . -74.7 -32.44 62.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.631 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.458 HG23 ' O ' ' C' ' 21' ' ' VAL . 10.8 m -88.26 82.26 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.006 0.431 . . . . 0.0 110.779 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.442 ' O ' ' HB ' ' C' ' 25' ' ' THR . 8.1 t70 -102.36 142.13 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.587 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.503 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -53.34 -42.05 66.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.161 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.21 73.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.503 ' O ' HG23 ' C' ' 29' ' ' VAL . 32.1 m -62.9 -36.25 82.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.122 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.61 ' O ' HG23 ' C' ' 30' ' ' VAL . 29.0 t80 -64.64 -47.31 79.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.861 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.93 -49.49 77.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.878 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.07 -49.82 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 63.2 t -64.04 -43.33 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.61 HG23 ' O ' ' C' ' 26' ' ' PHE . 60.7 t -69.76 -45.46 77.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.055 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.17 -44.86 87.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.517 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -64.7 -43.6 92.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.594 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.7 t80 -67.34 -46.77 72.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.655 ' CE1' HD11 ' D' ' 7' ' ' LEU . 30.4 m-85 -78.25 -31.92 49.41 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -53.88 -29.25 40.76 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.113 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -61.53 -17.37 54.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.899 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.502 ' OD1' HG23 ' C' ' 39' ' ' VAL . 10.4 p30 -103.72 -18.91 14.5 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.41 15.5 2.23 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.913 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.502 HG23 ' OD1' ' C' ' 37' ' ' ASN . 28.5 t -89.15 143.14 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 117.142 0.471 . . . . 0.0 110.841 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -154.59 -178.79 7.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.944 0.402 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.25 -144.37 18.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.216 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.47 156.65 42.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.381 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -73.09 119.37 17.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 80.7 p -112.7 140.1 47.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.582 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.84 146.34 48.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.708 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.81 155.75 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.96 137.14 56.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.626 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 137.2 45.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.801 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -132.2 156.49 46.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.583 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 147.34 41.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.025 0.44 . . . . 0.0 111.085 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 41.5 m -141.15 125.35 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.152 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -81.26 117.37 21.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.552 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 87.4 m -92.55 123.37 35.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.221 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.4 HG12 ' N ' ' C' ' 55' ' ' THR . 5.3 t -70.62 156.23 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.4 ' N ' HG12 ' C' ' 54' ' ' VAL . 67.4 m -148.13 -70.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.885 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.807 0.337 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.33 124.43 33.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.503 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 38.9 m-85 -108.99 125.9 52.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.227 0.537 . . . . 0.0 111.96 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -106.69 120.98 43.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.508 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.15 129.32 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.438 . . . . 0.0 111.684 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 33.3 mt -92.66 117.22 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.965 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.655 HD11 ' CE1' ' C' ' 34' ' ' PHE . 5.5 tp -134.5 111.83 10.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.339 . . . . 0.0 111.031 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -154.29 -48.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.44 168.41 36.5 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.591 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 146.05 26.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.367 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m 62.27 148.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -93.39 -53.09 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -104.95 111.1 23.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.783 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.93 -176.58 39.94 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.398 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -140.23 83.81 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 33.1 m -104.7 121.4 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.767 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -65.74 -58.12 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -65.42 126.32 27.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.157 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -121.82 -177.19 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.34 -49.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.37 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.461 ' O ' HG23 ' D' ' 21' ' ' VAL . 8.6 m -90.79 84.03 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.665 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' D' ' 25' ' ' THR . 7.9 t70 -102.41 142.19 34.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.386 0.612 . . . . 0.0 111.76 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.498 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -53.54 -42.02 67.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.172 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.29 73.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.507 ' O ' HG23 ' D' ' 29' ' ' VAL . 32.7 m -62.79 -36.23 82.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.191 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.616 ' O ' HG23 ' D' ' 30' ' ' VAL . 29.3 t80 -64.77 -47.19 79.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.793 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.03 -49.5 77.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.811 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -66.97 -49.95 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 62.5 t -63.9 -43.35 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.616 HG23 ' O ' ' D' ' 26' ' ' PHE . 60.9 t -69.74 -45.61 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.022 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -65.11 -44.87 87.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.921 0.391 . . . . 0.0 110.493 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -64.69 -43.64 92.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.516 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.7 t80 -67.36 -46.64 72.74 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.65 ' CE1' HD11 ' C' ' 7' ' ' LEU . 30.4 m-85 -78.33 -31.94 48.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -53.84 -29.25 40.2 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -61.54 -17.26 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.991 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.49 ' OD1' HG23 ' D' ' 39' ' ' VAL . 10.4 p30 -103.83 -18.93 14.45 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.41 15.51 2.22 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.241 -0.981 . . . . 0.0 113.914 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.49 HG23 ' OD1' ' D' ' 37' ' ' ASN . 28.6 t -89.19 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 117.205 0.502 . . . . 0.0 110.873 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -154.52 -178.77 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.199 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.25 -144.4 18.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.304 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.41 156.65 42.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -73.09 119.38 17.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.0 p -112.68 140.13 47.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.61 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.8 146.32 48.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.71 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.83 155.75 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.98 137.2 56.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.78 137.09 45.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.782 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -132.13 156.41 46.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.89 147.29 41.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.964 0.412 . . . . 0.0 111.145 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 42.9 m -141.09 125.4 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.156 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -81.32 117.36 21.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.478 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -92.6 123.42 35.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.252 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.403 HG12 ' N ' ' D' ' 55' ' ' THR . 5.3 t -70.73 156.11 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 111.029 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.403 ' N ' HG12 ' D' ' 54' ' ' VAL . 63.5 m -147.99 -70.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.984 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.983 0.42 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.68 ' HG3' HG23 ' D' ' 49' ' ' THR . 9.8 pt20 -95.6 127.42 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.482 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.508 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 36.0 m-85 -107.93 130.99 54.99 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.273 0.559 . . . . 0.0 112.339 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -107.18 124.26 49.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.855 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.23 125.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.304 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -95.9 117.17 39.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.523 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -102.98 125.47 49.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.961 179.081 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -156.21 113.82 3.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.149 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.29 44.61 2.46 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.863 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mttp 60.55 172.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 111.294 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -94.16 179.17 5.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.021 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' H ' HG22 ' A' ' 11' ' ' THR . 0.5 OUTLIER -68.89 -30.0 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.077 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -92.39 117.22 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.182 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.5 -106.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 16' ' ' THR . 29.3 mt-10 -138.4 142.18 39.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 111.003 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 15' ' ' GLU . 14.6 t 46.19 -173.04 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.975 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 16' ' ' THR . 0.9 OUTLIER -158.05 -179.5 8.19 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.369 -179.578 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 19' ' ' GLU . 2.8 p 67.78 -63.82 0.3 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.245 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' N ' ' OG1' ' A' ' 18' ' ' THR . 2.1 mm-40 58.69 177.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.339 . . . . 0.0 111.185 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.45 -35.59 9.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.36 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 21' ' ' VAL . 8.5 p -75.87 66.08 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.382 0.611 . . . . 0.0 110.618 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' A' ' 25' ' ' THR . 5.8 m-20 -102.8 147.63 26.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.278 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.47 -43.04 64.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.148 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.33 74.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.999 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 29' ' ' VAL . 17.2 m -62.72 -38.95 92.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.212 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 30' ' ' VAL . 72.5 t80 -64.19 -51.39 63.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.852 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 59.1 mt-10 -55.62 -49.39 72.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.842 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -67.65 -48.79 65.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 25' ' ' THR . 59.5 t -64.38 -43.48 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.1 t -68.4 -43.84 83.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.67 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -65.87 -44.68 84.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.897 0.379 . . . . 0.0 110.787 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.23 -41.6 94.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.324 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.497 ' HZ ' HG22 ' B' ' 25' ' ' THR . 3.8 t80 -68.46 -48.88 63.36 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' HB3' HG21 ' A' ' 39' ' ' VAL . 26.6 m-85 -77.55 -30.76 52.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.2 -28.1 50.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.949 0.404 . . . . 0.0 111.043 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.11 -17.33 52.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.066 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' OD1' HG23 ' A' ' 39' ' ' VAL . 12.3 p30 -104.47 -15.75 15.28 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.61 16.62 2.48 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.641 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' A' ' 34' ' ' PHE . 20.5 t -89.4 143.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 117.084 0.442 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -155.81 -178.93 7.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.23 -144.29 18.01 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.318 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -150.34 157.38 43.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 96.5 m95 -74.05 116.14 14.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.103 0.478 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.0 p -109.71 140.97 42.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.64 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -71.6 142.52 49.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.776 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 160.04 33.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.71 134.76 52.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.62 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.28 139.75 41.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.088 0.47 . . . . 0.0 111.874 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.653 HG23 ' HG3' ' D' ' 2' ' ' GLN . 11.2 m -130.01 156.42 44.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.692 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -125.45 119.79 29.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.975 0.417 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.9 m -109.97 130.79 55.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.453 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -80.63 115.05 19.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.383 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -89.69 123.17 33.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.352 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.34 155.05 7.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 111.101 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 m -147.1 -69.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.895 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.925 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.0 mmm . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.925 0.393 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.649 ' HG3' HG23 ' C' ' 49' ' ' THR . 9.9 pt20 -95.59 127.63 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.402 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.505 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 36.4 m-85 -108.13 130.81 55.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.249 0.547 . . . . 0.0 112.435 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -107.01 124.09 49.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.957 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.18 125.32 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 mt -95.71 117.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.6 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' B' ' 26' ' ' PHE . 0.2 OUTLIER -103.11 125.61 49.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.915 179.155 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -155.99 113.91 3.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.876 0.37 . . . . 0.0 111.456 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.27 -31.69 81.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt 59.04 101.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.34 104.55 7.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.87 32.63 2.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.287 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -173.71 152.81 2.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.05 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.88 153.59 52.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.853 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 57.79 87.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 111.269 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 32.4 m -111.63 -64.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.679 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.516 ' O ' HG22 ' B' ' 18' ' ' THR . 27.4 p 52.34 -169.23 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.553 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.516 HG22 ' O ' ' B' ' 17' ' ' THR . 14.8 t 47.19 -174.8 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.007 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.428 ' HG3' HG23 ' B' ' 18' ' ' THR . 21.3 mt-10 59.73 163.48 0.05 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.024 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.467 ' O ' HG21 ' B' ' 25' ' ' THR . . . -159.7 25.73 0.18 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.873 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.502 HG13 ' O ' ' B' ' 21' ' ' VAL . 8.5 p -79.49 65.61 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.265 0.555 . . . . 0.0 110.43 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.419 ' O ' ' HB ' ' B' ' 25' ' ' THR . 5.3 m-20 -102.77 147.66 26.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.166 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.508 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -52.28 -43.15 64.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.58 -33.47 75.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.639 ' O ' HG23 ' B' ' 29' ' ' VAL . 17.4 m -62.69 -39.02 92.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.205 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.647 ' O ' HG23 ' B' ' 30' ' ' VAL . 72.8 t80 -64.23 -51.12 65.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.836 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.403 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 60.0 mt-10 -55.92 -49.25 73.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.824 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -67.74 -48.69 65.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 25' ' ' THR . 59.9 t -64.51 -43.35 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.647 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.7 t -68.55 -43.63 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.615 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -65.92 -44.8 84.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.748 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -65.19 -41.44 94.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.4 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.498 ' HZ ' HG22 ' A' ' 25' ' ' THR . 3.8 t80 -68.57 -48.91 63.01 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.519 ' HB3' HG21 ' B' ' 39' ' ' VAL . 26.9 m-85 -77.54 -30.68 52.91 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.23 -28.24 51.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.967 0.413 . . . . 0.0 111.062 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -60.93 -17.42 51.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.142 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.437 ' OD1' HG23 ' B' ' 39' ' ' VAL . 12.2 p30 -104.59 -15.66 15.24 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.54 16.75 2.48 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.348 -0.929 . . . . 0.0 113.616 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 34' ' ' PHE . 20.6 t -89.55 143.22 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 117.12 0.46 . . . . 0.0 111.14 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.73 -178.55 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.95 -144.47 18.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.207 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -150.35 157.38 42.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.811 0.339 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 96.6 m95 -74.1 116.24 14.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.173 0.511 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 49.3 p -109.91 140.97 43.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.574 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.51 142.5 50.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.792 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 159.79 33.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.974 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.37 134.22 52.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.79 139.84 38.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 111.91 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.644 HG23 ' HG3' ' C' ' 2' ' ' GLN . 11.1 m -130.19 156.52 44.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -125.45 119.86 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 29.4 m -110.02 130.81 55.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.525 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -80.7 115.07 20.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.338 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -89.62 123.24 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.437 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.34 155.25 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.925 0.393 . . . . 0.0 111.065 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.5 m -147.34 -69.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.981 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmm . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.974 0.416 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.644 ' HG3' HG23 ' B' ' 49' ' ' THR . 9.8 pt20 -95.68 127.55 41.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.438 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.552 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 36.3 m-85 -108.02 130.89 55.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.31 0.576 . . . . 0.0 112.314 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -107.04 124.01 49.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.05 125.38 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.269 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 37.0 mt -95.84 117.16 39.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.491 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' C' ' 26' ' ' PHE . 0.2 OUTLIER -103.02 125.37 49.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.078 179.079 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -155.05 108.14 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.708 0.29 . . . . 0.0 111.057 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.99 75.98 2.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.206 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -72.76 151.06 42.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 111.229 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 6.0 p -90.39 101.89 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.556 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.47 160.48 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -102.59 119.58 39.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.42 -72.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.394 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -169.51 36.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -67.99 133.5 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.33 -43.84 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 49.8 p -137.68 178.29 7.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -102.01 172.87 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ALA . . . . . 0.575 ' O ' HG21 ' C' ' 25' ' ' THR . . . -151.55 -49.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.931 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.498 ' O ' HG13 ' C' ' 21' ' ' VAL . 11.1 p -85.92 65.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.355 0.598 . . . . 0.0 111.452 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' C' ' 25' ' ' THR . 5.1 m-20 -102.86 147.74 26.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.987 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.53 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -52.43 -43.2 64.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.177 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.22 74.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.635 ' O ' HG23 ' C' ' 29' ' ' VAL . 16.9 m -62.92 -38.95 93.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.195 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.653 ' O ' HG23 ' C' ' 30' ' ' VAL . 73.0 t80 -64.25 -51.1 65.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.791 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -55.8 -49.4 73.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.829 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -67.73 -48.53 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.635 HG23 ' O ' ' C' ' 25' ' ' THR . 58.7 t -64.46 -43.5 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.653 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.6 t -68.49 -43.62 83.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.658 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -66.06 -44.68 83.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.766 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -65.25 -41.4 94.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.315 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.532 ' HZ ' HG22 ' D' ' 25' ' ' THR . 3.8 t80 -68.54 -49.09 62.18 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.512 ' HB3' HG21 ' C' ' 39' ' ' VAL . 26.8 m-85 -77.44 -30.82 53.55 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -28.19 51.16 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 122.019 -0.426 . . . . 0.0 111.031 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.91 -17.52 51.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.105 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.437 ' OD1' HG23 ' C' ' 39' ' ' VAL . 12.3 p30 -104.58 -15.45 15.31 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.43 16.62 2.52 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.298 -0.954 . . . . 0.0 113.667 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' C' ' 34' ' ' PHE . 21.1 t -89.48 143.11 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 117.086 0.443 . . . . 0.0 111.045 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -155.8 -179.39 8.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.73 -144.17 17.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.209 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -150.48 157.48 43.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -74.18 116.22 14.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 49.9 p -109.9 140.97 43.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.69 142.44 49.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.745 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.2 160.0 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.88 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.67 134.54 52.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.482 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.23 140.19 39.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.961 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' THR . . . . . 0.649 HG23 ' HG3' ' B' ' 2' ' ' GLN . 10.3 m -130.36 156.53 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.67 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -125.51 119.66 28.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.402 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -109.87 130.67 55.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -80.69 115.23 20.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.401 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -89.82 123.28 33.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.408 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.41 155.19 7.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 65.5 m -147.34 -69.26 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.888 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mmm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.905 0.384 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 2' ' ' GLN . . . . . 0.653 ' HG3' HG23 ' A' ' 49' ' ' THR . 9.6 pt20 -95.76 127.35 41.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.51 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.53 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 36.6 m-85 -107.93 130.85 55.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.219 0.533 . . . . 0.0 112.336 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -107.04 124.11 49.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.911 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.09 125.48 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.239 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 mt -95.9 117.15 39.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.584 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.461 ' HG ' HG23 ' D' ' 21' ' ' VAL . 0.2 OUTLIER -103.08 125.74 49.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.983 179.131 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -156.4 110.91 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 0.0 111.276 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.8 100.79 2.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.194 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 mttm 60.96 106.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.778 0.323 . . . . 0.0 110.587 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -63.49 123.38 18.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.217 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tp 60.71 66.6 0.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.151 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -176.63 97.79 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.22 85.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.416 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -127.58 142.92 51.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.935 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' THR . . . . . 0.509 HG23 ' O ' ' D' ' 16' ' ' THR . 8.5 t -61.93 107.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 50.5 p -123.54 178.77 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.31 102.26 11.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 57.55 101.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -151.47 56.24 0.87 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.489 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.461 HG23 ' HG ' ' D' ' 7' ' ' LEU . 6.4 p 42.97 72.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.753 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.432 ' O ' ' HB ' ' D' ' 25' ' ' THR . 5.6 m-20 -102.6 146.99 27.35 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.018 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.552 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -52.57 -43.38 65.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.179 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.4 75.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.63 ' O ' HG23 ' D' ' 29' ' ' VAL . 17.1 m -62.8 -38.82 92.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.202 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.658 ' O ' HG23 ' D' ' 30' ' ' VAL . 72.9 t80 -64.34 -51.23 64.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.877 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -55.63 -49.4 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.867 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -67.78 -48.67 65.71 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.63 HG23 ' O ' ' D' ' 25' ' ' THR . 60.1 t -64.32 -43.42 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.658 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.0 t -68.48 -43.88 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.59 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -65.86 -44.77 84.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.915 0.388 . . . . 0.0 110.728 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -65.2 -41.37 94.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.333 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.539 ' HZ ' HG22 ' C' ' 25' ' ' THR . 3.8 t80 -68.53 -48.93 63.06 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.51 ' HB3' HG21 ' D' ' 39' ' ' VAL . 26.9 m-85 -77.58 -30.87 52.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.07 -28.18 50.41 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.978 0.418 . . . . 0.0 111.101 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -60.98 -17.42 51.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.059 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.441 ' OD1' HG23 ' D' ' 39' ' ' VAL . 12.2 p30 -104.61 -15.66 15.23 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.58 16.56 2.5 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 120.289 -0.957 . . . . 0.0 113.591 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.51 HG21 ' HB3' ' D' ' 34' ' ' PHE . 20.6 t -89.32 143.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 117.07 0.435 . . . . 0.0 111.124 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -155.87 -179.11 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.195 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.41 -144.34 17.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.21 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -150.3 157.27 42.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -74.0 116.26 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.098 0.475 . . . . 0.0 111.026 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -109.9 141.17 43.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.563 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -71.77 142.59 49.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.807 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.31 159.98 33.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.866 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.44 134.22 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.55 139.26 38.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 111.848 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 49' ' ' THR . . . . . 0.68 HG23 ' HG3' ' A' ' 2' ' ' GLN . 10.6 m -129.8 156.54 44.17 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.729 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -125.7 119.57 28.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.931 0.396 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 28.9 m -109.82 130.76 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.69 115.29 20.12 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.413 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -89.78 123.39 33.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.399 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.54 155.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.886 0.374 . . . . 0.0 111.085 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 67.0 m -147.26 -69.25 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.775 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.009 179.971 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.896 0.379 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -89.94 123.71 34.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.543 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.662 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 37.5 m-85 -110.3 132.35 54.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.457 0.646 . . . . 0.0 112.192 -179.56 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -106.4 126.19 51.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.758 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.25 121.64 9.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.05 117.16 38.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.68 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.439 ' HA ' HG11 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -105.18 124.18 49.1 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -153.38 -64.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.026 0.441 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.58 -41.69 1.41 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.593 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt 59.67 105.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.653 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.8 p -80.53 159.63 25.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.303 -179.498 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -115.07 -176.18 2.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.695 179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -98.24 42.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.01 -84.84 0.25 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.476 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -175.4 108.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -103.73 -60.41 1.57 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 m 67.36 -69.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.179 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -67.25 174.23 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 111.016 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pm0 -107.81 154.86 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.88 -67.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 7' ' ' LEU . 19.1 t -98.35 92.37 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.851 179.792 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' O ' ' HB ' ' A' ' 25' ' ' THR . 14.9 t70 -101.73 137.89 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.124 -178.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -47.08 -41.68 17.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.278 179.522 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.54 66.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 179.61 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 29' ' ' VAL . 38.2 m -61.25 -38.23 85.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.425 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.713 ' O ' HG23 ' A' ' 30' ' ' VAL . 30.8 t80 -69.43 -49.47 54.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.753 178.639 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -53.37 -52.29 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.953 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -66.15 -48.9 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.723 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 66.2 t -62.55 -41.08 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.5 t -70.26 -45.46 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.248 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -63.65 -45.56 89.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.022 0.439 . . . . 0.0 110.403 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.06 -46.74 86.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.153 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.724 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 5.0 t80 -67.44 -46.39 73.25 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.529 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 35.1 m-85 -74.53 -33.05 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.62 -31.1 61.99 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.846 178.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -61.9 -18.57 60.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.059 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.712 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.7 p30 -105.46 -21.46 13.21 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.379 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.57 14.93 1.85 Allowed Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.071 -1.062 . . . . 0.0 114.099 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.712 HG23 ' OD1' ' A' ' 37' ' ' ASN . 26.1 t -89.68 143.17 11.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 117.333 0.566 . . . . 0.0 110.854 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -155.08 -177.52 6.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.911 0.386 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.58 -145.08 18.5 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.341 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -149.07 156.39 42.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.343 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -72.76 117.76 14.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.459 . . . . 0.0 111.239 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.3 p -110.26 139.67 45.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.436 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.24 142.84 52.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.861 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.84 158.27 36.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.63 130.3 42.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.494 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 142.22 29.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.823 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.57 156.41 46.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.504 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -127.64 124.03 37.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.105 0.479 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.74 134.19 50.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.207 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -80.87 118.04 22.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.542 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.5 m -91.88 121.32 33.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.341 179.176 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 55' ' ' THR . 6.5 t -70.93 156.7 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.033 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 54' ' ' VAL . 90.6 m -148.17 -72.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.021 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.926 0.393 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.03 123.73 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.608 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.683 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.6 m-85 -110.27 132.27 54.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.419 0.628 . . . . 0.0 112.102 -179.382 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -106.39 126.17 51.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.799 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.26 121.63 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 mt -95.22 117.18 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.679 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' B' ' 26' ' ' PHE . 0.4 OUTLIER -104.96 124.08 48.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.945 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -154.27 -70.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.066 0.46 . . . . 0.0 111.172 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.42 -31.02 3.7 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.427 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt 62.09 118.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -141.51 145.07 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -167.96 -43.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -168.28 59.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.69 123.03 1.71 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.529 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 142.03 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.3 t -63.66 134.75 55.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -139.78 -55.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.6 t -161.34 45.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -137.69 114.9 10.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.702 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -150.4 83.34 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.419 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.44 HG11 ' HA ' ' B' ' 7' ' ' LEU . 18.2 t -94.52 90.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.991 0.424 . . . . 0.0 110.549 179.228 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.539 ' O ' ' HB ' ' B' ' 25' ' ' THR . 15.1 t70 -101.66 137.91 39.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.973 -178.796 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.662 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -47.0 -41.64 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.164 179.471 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -27.59 66.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.29 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.651 ' O ' HG23 ' B' ' 29' ' ' VAL . 37.4 m -61.19 -38.26 85.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.358 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 26' ' ' PHE . . . . . 0.721 ' O ' HG23 ' B' ' 30' ' ' VAL . 31.2 t80 -69.43 -49.55 54.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.742 178.677 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.33 -52.28 59.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.996 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -66.04 -49.01 69.16 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.724 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 67.5 t -62.56 -41.1 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.5 t -70.27 -45.57 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.256 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -63.54 -45.61 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.057 0.456 . . . . 0.0 110.42 179.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.0 -46.8 85.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.15 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.723 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.0 t80 -67.42 -46.32 73.51 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.525 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 34.6 m-85 -74.68 -33.04 62.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.68 -30.98 61.99 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 178.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -61.97 -18.49 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.016 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.712 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.7 p30 -105.47 -21.55 13.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.447 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.59 14.99 1.84 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.056 -1.069 . . . . 0.0 114.032 179.111 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.712 HG23 ' OD1' ' B' ' 37' ' ' ASN . 27.0 t -89.66 143.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 117.372 0.586 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -155.18 -177.67 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.71 -145.0 18.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.257 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -149.06 156.48 42.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.374 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -72.8 117.72 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.209 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 80.0 p -110.29 139.64 45.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.457 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.27 142.77 52.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.85 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.83 158.34 36.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.57 130.39 43.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.551 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.96 142.19 30.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 111.828 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.38 156.3 47.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.488 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -127.58 123.93 36.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.108 0.48 . . . . 0.0 111.391 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -106.67 134.17 50.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.181 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.03 118.08 22.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 111.46 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 94.2 m -91.68 121.37 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.309 179.119 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.419 HG12 ' N ' ' B' ' 55' ' ' THR . 6.6 t -71.19 156.82 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.997 -179.77 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.419 ' N ' HG12 ' B' ' 54' ' ' VAL . 90.9 m -148.27 -72.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.967 179.991 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.861 0.362 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.04 123.74 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.51 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 3' ' ' TYR . . . . . 0.683 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 37.7 m-85 -110.22 132.29 54.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.421 0.629 . . . . 0.0 112.169 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -106.4 126.27 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.746 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.3 121.68 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mt -95.2 117.24 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.655 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' C' ' 26' ' ' PHE . 0.4 OUTLIER -105.08 124.2 49.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.841 178.875 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -154.07 -66.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.461 . . . . 0.0 110.951 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.72 -129.2 24.5 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.446 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 47.5 mttt 60.34 168.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.842 0.354 . . . . 0.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 37.2 p -96.01 145.7 25.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.508 ' N ' HD22 ' C' ' 12' ' ' LEU . 3.6 mm? -92.06 -70.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -137.84 93.06 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.38 -130.26 10.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.681 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 62.59 147.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 111.063 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -106.86 30.55 6.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.74 174.38 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.688 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -132.0 40.88 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -60.92 160.81 9.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.9 57.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 21' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' C' ' 7' ' ' LEU . 20.7 t -95.91 92.68 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.686 179.608 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 22' ' ' ASP . . . . . 0.542 ' O ' ' HB ' ' C' ' 25' ' ' THR . 15.0 t70 -101.71 137.84 39.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.355 0.598 . . . . 0.0 112.148 -178.781 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 23' ' ' ALA . . . . . 0.669 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -47.02 -41.77 17.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.253 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.76 -27.6 66.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.242 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.641 ' O ' HG23 ' C' ' 29' ' ' VAL . 37.4 m -61.21 -38.24 85.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.403 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 26' ' ' PHE . . . . . 0.722 ' O ' HG23 ' C' ' 30' ' ' VAL . 30.9 t80 -69.43 -49.58 53.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.701 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -53.32 -52.25 59.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.952 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -66.04 -49.11 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.497 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 29' ' ' VAL . . . . . 0.71 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 66.5 t -62.52 -41.05 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.722 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.2 t -70.28 -45.45 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.246 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -63.61 -45.57 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.993 0.425 . . . . 0.0 110.379 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -63.16 -46.74 85.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.17 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 33' ' ' PHE . . . . . 0.729 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.0 t80 -67.34 -46.28 73.87 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 34' ' ' PHE . . . . . 0.52 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 35.1 m-85 -74.57 -33.15 62.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.64 -31.01 61.96 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.013 0.435 . . . . 0.0 110.831 178.585 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.95 -18.44 60.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.099 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.724 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.6 p30 -105.49 -21.56 13.19 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.474 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.66 14.87 1.85 Allowed Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.057 -1.068 . . . . 0.0 114.101 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.724 HG23 ' OD1' ' C' ' 37' ' ' ASN . 26.6 t -89.64 143.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 117.362 0.581 . . . . 0.0 110.814 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -155.09 -177.62 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.64 -145.01 18.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.332 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -149.07 156.44 42.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -72.78 117.8 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 79.2 p -110.42 139.77 45.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.403 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.37 142.88 52.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.807 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.85 158.31 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.763 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.58 130.4 43.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.549 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 142.19 29.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.835 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -139.45 156.4 46.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.444 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -127.62 123.88 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.065 0.459 . . . . 0.0 111.466 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -106.73 134.14 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.261 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -80.91 117.96 21.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.677 0.275 . . . . 0.0 111.54 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -91.72 121.29 33.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.275 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 54' ' ' VAL . . . . . 0.418 HG12 ' N ' ' C' ' 55' ' ' THR . 6.5 t -70.94 156.88 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 111.065 -179.828 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 55' ' ' THR . . . . . 0.418 ' N ' HG12 ' C' ' 54' ' ' VAL . 90.9 m -148.28 -72.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.984 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.0 123.78 34.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.591 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 3' ' ' TYR . . . . . 0.669 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.9 m-85 -110.33 132.34 54.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.444 0.64 . . . . 0.0 112.211 -179.558 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -106.47 126.28 52.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.768 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.32 121.56 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.1 117.21 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.637 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' D' ' 26' ' ' PHE . 0.4 OUTLIER -105.19 124.51 49.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.846 178.876 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -153.11 -64.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.402 . . . . 0.0 111.001 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.68 155.16 7.67 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.569 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -63.85 142.24 58.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -84.6 170.82 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.09 37.05 14.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.73 150.14 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.774 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.31 -52.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.634 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 60.17 -179.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.718 0.294 . . . . 0.0 110.793 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 27.6 m -89.16 78.94 7.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 10.0 p 55.88 -173.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.282 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 25.6 p 53.55 79.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.405 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -69.75 168.39 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.69 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.65 -42.69 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.299 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 21' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' D' ' 7' ' ' LEU . 17.1 t -95.88 91.75 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.822 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 22' ' ' ASP . . . . . 0.54 ' O ' ' HB ' ' D' ' 25' ' ' THR . 15.2 t70 -101.96 137.92 39.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.931 -178.916 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 23' ' ' ALA . . . . . 0.683 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -47.11 -41.77 17.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.215 179.548 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.73 -27.55 66.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 25' ' ' THR . . . . . 0.629 ' O ' HG23 ' D' ' 29' ' ' VAL . 36.9 m -61.27 -38.18 85.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.412 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 26' ' ' PHE . . . . . 0.708 ' O ' HG23 ' D' ' 30' ' ' VAL . 31.2 t80 -69.47 -49.54 53.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.687 178.662 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.36 -52.21 59.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.031 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -66.09 -49.04 68.94 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 29' ' ' VAL . . . . . 0.729 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 65.7 t -62.54 -41.07 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.708 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.5 t -70.26 -45.61 74.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.259 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -63.47 -45.62 89.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.462 . . . . 0.0 110.47 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -62.97 -46.81 85.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.198 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 33' ' ' PHE . . . . . 0.71 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.0 t80 -67.35 -46.43 73.42 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 34' ' ' PHE . . . . . 0.514 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 35.0 m-85 -74.63 -32.98 62.46 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -55.74 -31.01 62.15 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.765 178.551 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -61.99 -18.42 60.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.066 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 37' ' ' ASN . . . . . 0.713 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.8 p30 -105.6 -21.33 13.22 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.466 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.45 15.07 1.86 Allowed Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.065 -1.064 . . . . 0.0 114.131 179.094 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.713 HG23 ' OD1' ' D' ' 37' ' ' ASN . 26.8 t -89.78 143.18 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 117.36 0.58 . . . . 0.0 110.809 179.574 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -155.05 -177.59 6.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 111.106 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.67 -145.07 18.48 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.342 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -149.17 156.44 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -72.74 117.76 14.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.247 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 80.2 p -110.37 139.64 45.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.438 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.29 142.73 52.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.806 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.79 158.27 36.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.58 130.29 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.82 142.24 29.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.816 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.59 156.38 46.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -127.56 123.98 37.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.532 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.77 134.08 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.206 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -80.94 118.08 22.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.482 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -91.78 121.32 33.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.275 179.18 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 54' ' ' VAL . . . . . 0.417 HG12 ' N ' ' D' ' 55' ' ' THR . 6.4 t -71.0 156.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.018 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 55' ' ' THR . . . . . 0.417 ' N ' HG12 ' D' ' 54' ' ' VAL . 91.3 m -148.23 -72.19 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.883 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 121.023 0.44 . . . . 1.0 111.434 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.6 123.57 35.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.614 -0.721 . . . . 1.77 110.362 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.537 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 36.3 m-85 -108.38 131.02 55.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.377 0.608 . . . . 0.28 111.553 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -105.57 125.07 50.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.921 -1.036 . . . . 1.62 110.509 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.556 HG12 HD12 ' A' ' 7' ' ' LEU . 17.0 t -142.43 123.94 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.015 0.436 . . . . 0.34 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' B' ' 1' ' ' MET . 16.8 mt -92.94 117.42 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.851 -0.613 . . . . 0.49 110.547 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.771 HD22 ' HB2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 108.599 -0.889 . . . . 0.94 108.599 179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' A' ' 25' ' ' THR . 9.4 t0 . . . . . 0 CA--C 1.516 -0.347 0 CA-C-O 121.325 0.583 . . . . 1.65 111.067 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.544 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.21 -46.67 65.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.262 -0.881 . . . . 0.31 110.805 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.18 -32.11 73.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.948 -0.569 . . . . 0.34 110.729 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.4 m -64.44 -40.65 96.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.868 -0.606 . . . . 0.38 110.913 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.771 ' HB2' HD22 ' A' ' 7' ' ' LEU . 10.8 t80 -65.59 -50.99 63.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.932 -0.576 . . . . 0.37 110.626 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 62.8 mt-10 -54.75 -49.83 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 2.05 111.033 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -66.01 -53.17 42.01 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.32 0.489 . . . . 1.79 112.32 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 25' ' ' THR . 63.8 t -64.08 -45.03 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 112.182 0.438 . . . . 0.25 112.182 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 26' ' ' PHE . 44.4 t -68.59 -41.21 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.26 111.247 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 77.7 tttt -70.69 -46.49 63.04 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.76 -0.376 . . . . 1.39 110.581 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -63.79 -42.36 97.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.527 -0.306 . . . . 1.82 111.122 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 4.7 t80 -64.23 -46.57 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.531 0.567 . . . . 0.3 112.531 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.717 ' HZ ' HD21 ' B' ' 7' ' ' LEU . 36.4 m-85 -78.52 -29.96 46.8 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.055 0.761 . . . . 0.57 113.055 -178.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 1.1 m-80 -55.34 -30.7 60.77 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.407 0.622 . . . . 0.32 110.752 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -59.48 -17.44 31.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.927 -1.033 . . . . 1.19 112.022 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' A' ' 39' ' ' VAL . 13.2 p30 -111.04 -2.39 15.92 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.973 0.731 . . . . 1.63 112.973 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.32 51.56 1.13 Allowed Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.003 -1.094 . . . . 0.26 113.756 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.515 HG23 ' OD1' ' A' ' 37' ' ' ASN . 57.0 t -126.31 139.43 51.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.535 -0.913 . . . . 0.26 108.535 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -150.94 -174.47 4.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.406 0.622 . . . . 1.31 111.525 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.05 -145.61 18.2 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.068 -0.969 . . . . 0.24 112.357 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -148.56 155.16 40.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.095 0.474 . . . . 1.58 111.29 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 94.3 m95 -74.05 114.19 12.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.787 -0.642 . . . . 0.33 110.788 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.6 p -106.93 143.13 35.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.872 -0.604 . . . . 0.19 110.707 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.38 140.57 50.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.557 -0.747 . . . . 0.27 110.551 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.05 160.93 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 1.14 110.589 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.29 131.75 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 2.26 111.299 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.49 140.34 34.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.186 -0.461 . . . . 0.25 111.473 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.505 HG23 ' HB3' ' D' ' 2' ' ' GLN . 4.5 m -137.26 150.04 47.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.89 -0.596 . . . . 0.28 110.817 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -117.85 137.95 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.986 0.422 . . . . 0.85 110.581 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.2 m -125.95 133.74 51.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.26 110.387 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -80.67 121.94 26.48 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.818 0.342 . . . . 0.32 111.616 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.6 m -99.56 123.33 43.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.196 -0.457 . . . . 0.2 110.231 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 55' ' ' THR . 19.5 t -69.52 156.39 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.009 0.433 . . . . 0.28 110.816 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.446 ' N ' HG12 ' A' ' 54' ' ' VAL . 36.4 m -152.49 -71.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.851 -0.613 . . . . 0.34 111.114 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.245 -0.883 . . . . 4.37 110.915 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.436 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 121.135 0.493 . . . . 1.0 111.303 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.82 123.71 35.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.518 -0.765 . . . . 1.77 110.358 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.544 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 36.2 m-85 -108.44 131.17 55.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.442 0.639 . . . . 0.28 111.575 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -105.79 124.93 50.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.926 -1.034 . . . . 1.62 110.642 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.585 HG12 HD12 ' B' ' 7' ' ' LEU . 16.5 t -142.29 123.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.054 0.454 . . . . 0.34 111.334 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 1' ' ' MET . 17.4 mt -92.81 117.49 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.594 . . . . 0.49 110.594 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.748 HD22 ' HB2' ' B' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 108.71 -0.848 . . . . 0.94 108.71 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' B' ' 25' ' ' THR . 10.8 t0 . . . . . 0 CA--C 1.517 -0.317 0 CA-C-O 121.18 0.514 . . . . 1.65 109.637 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.537 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.97 -46.54 64.86 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.604 -0.725 . . . . 0.3 111.002 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -31.15 71.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.33 110.772 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.537 ' O ' HG23 ' B' ' 29' ' ' VAL . 74.7 m -64.34 -40.67 96.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.964 -0.562 . . . . 0.38 110.85 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.748 ' HB2' HD22 ' B' ' 7' ' ' LEU . 10.4 t80 -65.92 -50.42 64.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.759 -0.655 . . . . 0.37 110.691 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.433 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 62.9 mt-10 -55.25 -49.38 72.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 2.04 110.915 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.24 -52.98 42.42 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.345 0.498 . . . . 1.79 112.345 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 25' ' ' THR . 61.7 t -64.15 -45.24 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 112.076 0.398 . . . . 0.25 112.076 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 26' ' ' PHE . 42.8 t -68.38 -41.54 83.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.05 -0.523 . . . . 0.26 111.349 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.436 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 77.4 tttt -70.62 -46.26 63.68 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.802 -0.359 . . . . 1.38 110.469 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -64.14 -42.89 96.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 1.82 111.304 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 4.6 t80 -63.47 -46.88 84.13 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.657 0.614 . . . . 0.3 112.657 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.713 ' HZ ' HD21 ' A' ' 7' ' ' LEU . 34.8 m-85 -77.9 -31.37 51.16 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.968 0.729 . . . . 0.57 112.968 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 1.1 m120 -53.57 -32.54 51.29 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.191 0.52 . . . . 0.32 110.781 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -58.21 -17.24 17.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 1.19 112.178 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.581 ' OD1' HG23 ' B' ' 39' ' ' VAL . 14.1 p30 -110.18 -3.35 16.38 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.849 0.685 . . . . 1.62 112.849 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.92 49.72 1.23 Allowed Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.198 -1.001 . . . . 0.26 113.464 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.581 HG23 ' OD1' ' B' ' 37' ' ' ASN . 59.7 t -125.17 137.54 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 108.672 -0.862 . . . . 0.26 108.672 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -149.91 -174.97 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.302 0.572 . . . . 1.3 111.781 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.55 -145.49 16.94 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.132 -0.94 . . . . 0.23 112.171 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -148.58 154.74 40.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.847 0.356 . . . . 1.57 111.132 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.433 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 94.0 m95 -73.8 115.39 13.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.33 110.845 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -108.06 142.94 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.848 -0.615 . . . . 0.19 110.506 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.15 140.93 50.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.464 -0.789 . . . . 0.27 110.697 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.36 160.9 31.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 1.14 110.585 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.19 131.93 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.36 . . . . 2.26 111.161 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.67 140.85 34.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.46 . . . . 0.26 111.416 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.473 HG23 ' HB3' ' C' ' 2' ' ' GLN . 4.2 m -137.71 150.06 47.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 0.29 110.806 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -117.86 138.17 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.034 0.445 . . . . 0.85 110.614 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 21.7 m -126.18 133.81 51.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.839 -0.619 . . . . 0.26 110.363 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -80.79 122.07 26.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.827 0.346 . . . . 0.32 111.661 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 41.7 m -99.61 123.52 43.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.213 -0.449 . . . . 0.21 110.198 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.449 HG12 ' N ' ' B' ' 55' ' ' THR . 19.5 t -69.61 156.68 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.28 110.873 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.449 ' N ' HG12 ' B' ' 54' ' ' VAL . 36.7 m -152.78 -71.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.933 -0.576 . . . . 0.34 111.105 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.292 -0.861 . . . . 4.36 110.935 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.481 ' O ' ' HA ' ' D' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.053 0.454 . . . . 1.0 111.089 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.473 ' HB3' HG23 ' B' ' 49' ' ' THR . 4.8 tt0 -91.36 124.24 35.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.699 -0.682 . . . . 1.77 110.321 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -109.22 131.14 55.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.465 0.65 . . . . 0.28 111.573 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -105.69 124.97 50.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.754 -1.112 . . . . 1.62 110.568 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.583 HG12 HD12 ' C' ' 7' ' ' LEU . 17.9 t -142.29 124.19 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.0 0.429 . . . . 0.34 111.268 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' D' ' 1' ' ' MET . 16.2 mt -92.98 117.59 36.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.873 -0.603 . . . . 0.49 110.763 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.747 HD22 ' HB2' ' C' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 108.607 -0.886 . . . . 0.94 108.607 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.402 ' O ' ' HB ' ' C' ' 25' ' ' THR . 9.9 t0 . . . . . 0 CA--C 1.517 -0.313 0 CA-C-O 121.257 0.551 . . . . 1.65 110.522 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -46.76 63.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.429 -0.805 . . . . 0.3 110.809 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.42 -31.58 72.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.963 -0.562 . . . . 0.33 110.775 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.542 ' O ' HG23 ' C' ' 29' ' ' VAL . 96.3 m -64.44 -40.67 96.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 0.38 110.824 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.747 ' HB2' HD22 ' C' ' 7' ' ' LEU . 10.7 t80 -65.62 -50.88 63.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.37 110.68 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.436 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 62.9 mt-10 -54.91 -49.39 71.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 2.05 110.995 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.47 -52.75 42.93 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.298 0.481 . . . . 1.79 112.298 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.542 HG23 ' O ' ' C' ' 25' ' ' THR . 61.8 t -64.3 -45.4 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.062 0.393 . . . . 0.25 112.062 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.671 HG23 ' O ' ' C' ' 26' ' ' PHE . 43.6 t -68.32 -40.76 82.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.033 -0.531 . . . . 0.26 111.338 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . 0.448 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 77.5 tttt -71.24 -46.14 61.69 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.789 -0.364 . . . . 1.39 110.483 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -64.54 -42.49 95.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 1.82 111.378 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.521 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 4.5 t80 -63.68 -46.91 83.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.668 0.618 . . . . 0.3 112.668 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.649 ' HZ ' HD21 ' D' ' 7' ' ' LEU . 32.3 m-85 -78.17 -30.92 49.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.865 0.691 . . . . 0.57 112.865 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 1.1 m120 -53.78 -32.55 52.86 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.217 0.532 . . . . 0.32 110.842 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -58.31 -17.24 18.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.46 -0.791 . . . . 1.18 112.123 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.587 ' OD1' HG23 ' C' ' 39' ' ' VAL . 14.2 p30 -110.16 -2.87 16.66 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.833 0.679 . . . . 1.62 112.833 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.49 49.34 1.31 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.213 -0.994 . . . . 0.26 113.566 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.587 HG23 ' OD1' ' C' ' 37' ' ' ASN . 61.9 t -124.4 137.76 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 108.664 -0.865 . . . . 0.26 108.664 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -150.1 -175.11 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.323 0.583 . . . . 1.3 111.74 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.34 -145.33 17.01 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.107 -0.951 . . . . 0.24 112.095 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -148.81 154.81 40.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.393 . . . . 1.57 111.199 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . 0.436 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 94.4 m95 -73.55 115.21 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.861 -0.609 . . . . 0.33 110.856 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -108.12 142.64 38.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.86 -0.609 . . . . 0.19 110.524 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.99 140.89 50.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.568 -0.742 . . . . 0.27 110.681 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.3 160.77 32.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 1.14 110.536 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.19 131.62 46.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 2.26 111.222 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.38 140.48 33.57 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.206 -0.452 . . . . 0.25 111.519 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -137.48 149.99 47.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.915 -0.584 . . . . 0.28 110.841 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -117.56 138.23 52.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.84 110.607 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 21.4 m -126.25 133.48 51.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.858 -0.61 . . . . 0.26 110.417 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -80.58 121.85 26.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.845 0.355 . . . . 0.31 111.621 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 42.6 m -99.36 123.88 44.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.148 -0.478 . . . . 0.2 110.194 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.459 HG12 ' N ' ' C' ' 55' ' ' THR . 19.5 t -70.09 156.27 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.021 0.439 . . . . 0.28 110.837 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.459 ' N ' HG12 ' C' ' 54' ' ' VAL . 40.8 m -151.99 -72.8 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.781 -0.645 . . . . 0.34 111.12 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.158 -0.925 . . . . 4.37 110.901 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' C' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.916 0.389 . . . . 1.0 111.339 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . 0.505 ' HB3' HG23 ' A' ' 49' ' ' THR . 4.6 tt0 -91.58 124.38 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.857 -0.61 . . . . 1.77 110.347 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.41 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.6 m-85 -109.11 131.03 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.534 0.683 . . . . 0.28 111.546 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -106.0 124.76 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.614 -1.175 . . . . 1.62 110.393 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.574 HG12 HD12 ' D' ' 7' ' ' LEU . 19.4 t -142.24 123.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.019 0.437 . . . . 0.34 111.022 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' C' ' 1' ' ' MET . 15.6 mt -92.96 117.45 36.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.819 -0.628 . . . . 0.49 110.618 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.73 HD22 ' HB2' ' D' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.543 0 N-CA-C 108.238 -1.023 . . . . 0.94 108.238 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' D' ' 25' ' ' THR . 10.3 t0 . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 121.262 0.553 . . . . 1.65 110.761 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.7 -47.07 64.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.475 -0.784 . . . . 0.3 110.876 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.02 -31.72 72.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.33 110.697 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.54 ' O ' HG23 ' D' ' 29' ' ' VAL . 99.8 m -64.02 -40.96 97.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.013 -0.54 . . . . 0.38 110.887 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.73 ' HB2' HD22 ' D' ' 7' ' ' LEU . 10.4 t80 -65.93 -50.71 63.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.37 110.615 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . 0.435 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 62.7 mt-10 -55.03 -49.45 71.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.389 -0.369 . . . . 2.05 110.955 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.33 -53.03 41.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.338 0.496 . . . . 1.79 112.338 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.54 HG23 ' O ' ' D' ' 25' ' ' THR . 62.1 t -64.17 -45.47 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 N-CA-C 112.095 0.406 . . . . 0.25 112.095 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.672 HG23 ' O ' ' D' ' 26' ' ' PHE . 43.4 t -68.11 -41.2 84.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.021 -0.536 . . . . 0.26 111.402 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 77.5 tttt -71.02 -45.91 63.11 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.802 -0.359 . . . . 1.39 110.496 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -64.49 -42.89 95.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.762 0.315 . . . . 1.82 111.344 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.522 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 4.4 t80 -63.54 -47.09 83.04 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.641 0.608 . . . . 0.3 112.641 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.652 ' HZ ' HD21 ' C' ' 7' ' ' LEU . 32.8 m-85 -77.76 -30.56 51.58 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.08 0.77 . . . . 0.57 113.08 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 1.1 m120 -54.32 -32.39 56.46 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.212 0.53 . . . . 0.32 110.783 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -58.41 -17.2 18.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 1.18 112.084 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.578 ' OD1' HG23 ' D' ' 39' ' ' VAL . 14.2 p30 -110.2 -2.71 16.7 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.839 0.681 . . . . 1.63 112.839 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.24 48.5 1.43 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.168 -1.015 . . . . 0.26 113.708 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.578 HG23 ' OD1' ' D' ' 37' ' ' ASN . 61.7 t -123.31 138.38 53.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 108.582 -0.896 . . . . 0.26 108.582 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -150.57 -174.99 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.201 -0.6 . . . . 1.3 111.698 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.95 -145.61 17.28 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.165 -0.925 . . . . 0.24 112.239 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.53 154.27 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 1.58 111.212 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 94.0 m95 -73.2 115.36 12.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.894 -0.594 . . . . 0.33 110.919 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -108.29 142.48 38.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.819 -0.628 . . . . 0.19 110.476 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.73 141.04 51.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.566 -0.743 . . . . 0.27 110.717 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.35 160.74 32.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.14 110.534 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.25 131.14 45.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 2.26 111.315 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.09 139.97 33.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.25 -0.432 . . . . 0.26 111.623 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -136.97 150.05 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.28 110.811 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -117.65 138.29 52.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.0 0.429 . . . . 0.85 110.585 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 22.2 m -126.44 133.29 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.863 -0.608 . . . . 0.26 110.456 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -80.19 121.98 26.26 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.794 0.33 . . . . 0.32 111.648 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 46.4 m -99.59 123.82 44.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 0.21 110.224 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.464 HG12 ' N ' ' D' ' 55' ' ' THR . 19.6 t -69.83 156.75 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.28 110.909 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.464 ' N ' HG12 ' D' ' 54' ' ' VAL . 35.3 m -152.77 -71.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.34 111.086 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.202 -0.904 . . . . 4.37 110.939 -179.842 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.934 0.397 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -89.58 124.24 34.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.481 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 35.6 m-85 -108.8 128.58 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.24 0.543 . . . . 0.0 111.925 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -106.74 125.31 50.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.41 122.04 9.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' B' ' 1' ' ' MET . 21.1 mt -92.97 117.27 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.433 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.621 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 25' ' ' THR . 4.7 m-20 . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 121.288 0.566 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.491 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.94 -42.4 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.955 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -30.25 69.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.4 m -61.73 -38.12 86.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.393 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 30' ' ' VAL . 25.3 t80 -68.26 -52.69 31.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.797 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 20.0 mt-10 -51.73 -54.41 28.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.909 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -65.75 -51.41 59.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.589 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 59.3 t -63.01 -41.3 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 26' ' ' PHE . 59.0 t -70.19 -45.1 77.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -64.06 -44.98 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.975 0.417 . . . . 0.0 110.566 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.32 -45.75 89.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.025 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.3 t80 -67.29 -46.9 72.21 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.633 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 38.6 m-85 -74.89 -33.27 62.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -30.94 62.1 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.975 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -61.37 -18.09 57.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.093 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.672 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.4 p30 -105.44 -19.7 13.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.29 15.12 2.08 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.052 -1.071 . . . . 0.0 114.046 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.672 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.5 t -89.3 143.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 117.306 0.553 . . . . 0.0 110.872 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -156.28 -177.78 6.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.871 0.367 . . . . 0.0 111.244 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.08 -145.02 18.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.262 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -148.74 156.23 42.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 96.0 m95 -72.96 119.47 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.387 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -113.97 141.5 47.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.547 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.76 143.78 51.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.881 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.65 160.47 32.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -65.85 127.84 33.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.85 142.66 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.107 0.48 . . . . 0.0 111.977 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 m -137.49 156.27 48.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.467 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -127.84 122.26 32.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.015 0.436 . . . . 0.0 111.253 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -107.45 134.1 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.568 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -81.4 116.03 21.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.239 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -89.97 124.43 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.671 0.272 . . . . 0.0 110.544 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.44 155.92 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.103 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -148.46 -67.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.98 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.404 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.886 0.374 . . . . 0.0 111.196 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -89.58 124.2 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.712 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.491 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 35.7 m-85 -108.76 128.67 55.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.255 0.55 . . . . 0.0 111.958 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -106.79 125.19 50.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.33 122.08 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 1' ' ' MET . 21.4 mt -92.98 117.26 35.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.439 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.633 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.1 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.485 ' O ' ' HB ' ' B' ' 25' ' ' THR . 4.7 m-20 . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 121.352 0.596 . . . . 0.0 111.689 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.481 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.98 -42.42 60.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.014 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.12 -30.37 69.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.59 ' O ' HG23 ' B' ' 29' ' ' VAL . 50.6 m -61.67 -38.08 86.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.655 ' O ' HG23 ' B' ' 30' ' ' VAL . 25.6 t80 -68.29 -52.62 31.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.421 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 21.6 mt-10 -51.86 -54.33 30.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.885 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -65.66 -51.51 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 25' ' ' THR . 58.8 t -62.96 -41.3 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.2 t -70.2 -45.07 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -64.09 -45.01 90.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 110.52 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -63.25 -45.73 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.13 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.589 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.3 t80 -67.21 -46.93 72.38 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.621 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 38.3 m-85 -74.88 -33.34 62.05 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.71 -30.89 61.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.967 0.413 . . . . 0.0 110.994 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.38 -18.08 57.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.093 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.68 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.5 p30 -105.58 -19.41 13.78 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.93 15.34 2.13 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.068 -1.063 . . . . 0.0 114.023 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.68 HG23 ' OD1' ' B' ' 37' ' ' ASN . 23.1 t -89.42 143.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 117.279 0.54 . . . . 0.0 110.852 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -156.49 -178.3 7.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.61 -144.95 18.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.243 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -148.73 156.15 41.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.421 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 96.0 m95 -73.02 119.3 17.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.374 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.3 p -113.77 141.43 47.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.544 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.66 143.72 51.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.854 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.55 160.49 32.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -65.84 127.57 32.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.73 142.86 27.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.962 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 24.0 m -137.76 156.37 48.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.547 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -127.75 122.27 32.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.005 0.431 . . . . 0.0 111.33 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -107.37 134.09 50.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.559 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -81.43 116.11 21.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.24 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.7 m -89.94 124.6 34.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.696 0.284 . . . . 0.0 110.594 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.53 155.95 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 111.061 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.7 m -148.59 -67.72 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.007 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -89.31 124.18 34.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.664 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.475 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 35.6 m-85 -108.8 128.66 55.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.298 0.571 . . . . 0.0 111.959 -179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -106.8 125.29 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.019 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.33 122.04 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 21.5 mt -92.95 117.25 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.405 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.647 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' C' ' 25' ' ' THR . 4.1 m-20 . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 121.146 0.498 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.456 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -50.71 -42.16 56.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.915 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.45 -30.25 69.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.128 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' C' ' 29' ' ' VAL . 50.7 m -61.76 -38.2 87.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.332 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.67 ' O ' HG23 ' C' ' 30' ' ' VAL . 25.1 t80 -68.18 -52.67 31.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.759 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.421 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 20.7 mt-10 -51.8 -54.37 29.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.907 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -65.71 -51.42 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.598 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 59.6 t -63.07 -41.36 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.67 HG23 ' O ' ' C' ' 26' ' ' PHE . 59.6 t -70.26 -44.85 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -64.16 -45.02 90.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.002 0.43 . . . . 0.0 110.573 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.33 -45.8 89.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.008 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.594 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.3 t80 -67.23 -46.96 72.22 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.649 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 38.4 m-85 -74.87 -33.21 62.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -30.89 62.33 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.875 0.369 . . . . 0.0 110.964 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.4 -18.06 57.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.04 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.668 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.5 p30 -105.59 -19.7 13.69 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.39 15.08 2.07 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.1 -1.048 . . . . 0.0 114.056 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.668 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.2 t -89.4 143.26 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.309 0.554 . . . . 0.0 110.893 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -156.42 -178.38 7.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 111.232 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.69 -145.0 18.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.213 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -148.67 156.11 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.001 0.429 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . 0.421 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 96.0 m95 -72.91 119.57 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.369 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -113.99 141.44 47.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.583 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.78 143.73 51.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.848 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.6 160.42 32.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.89 127.87 33.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.12 142.99 28.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.096 0.474 . . . . 0.0 112.121 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 22.4 m -137.67 156.31 48.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.502 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -127.74 122.25 32.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.414 . . . . 0.0 111.188 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -107.38 134.11 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.647 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.42 116.05 21.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.18 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -89.93 124.6 34.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.701 0.286 . . . . 0.0 110.498 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.47 156.04 7.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 111.025 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -148.54 -67.78 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.976 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -89.47 124.07 34.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.693 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.456 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 35.8 m-85 -108.69 128.67 55.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.179 0.514 . . . . 0.0 111.951 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -106.77 125.27 50.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.38 122.06 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 21.0 mt -92.96 117.22 35.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.431 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.055 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' D' ' 25' ' ' THR . 4.7 m-20 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 121.349 0.595 . . . . 0.0 111.694 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.475 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -50.86 -42.28 58.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.018 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.34 69.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.085 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.598 ' O ' HG23 ' D' ' 29' ' ' VAL . 51.2 m -61.74 -38.22 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.32 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.672 ' O ' HG23 ' D' ' 30' ' ' VAL . 24.8 t80 -68.14 -52.81 30.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.753 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . 0.422 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 20.1 mt-10 -51.66 -54.41 28.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.906 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -65.71 -51.49 58.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.598 HG23 ' O ' ' D' ' 25' ' ' THR . 59.0 t -62.97 -41.32 92.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.672 HG23 ' O ' ' D' ' 26' ' ' PHE . 59.1 t -70.18 -45.1 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -64.14 -44.98 90.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.485 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.39 -45.7 89.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.031 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.3 t80 -67.16 -47.03 72.23 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.647 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 38.4 m-85 -74.87 -33.23 62.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.88 -30.85 62.2 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.958 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.43 -18.04 57.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.025 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.67 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.5 p30 -105.5 -19.75 13.69 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.3 15.19 2.07 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.052 -1.07 . . . . 0.0 114.047 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.67 HG23 ' OD1' ' D' ' 37' ' ' ASN . 22.3 t -89.42 143.24 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.297 0.549 . . . . 0.0 110.858 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -156.48 -178.2 7.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.005 0.431 . . . . 0.0 111.161 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.56 -144.99 18.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.221 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -148.64 156.07 41.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . 0.422 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 96.0 m95 -72.95 119.39 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.378 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 68.1 p -113.87 141.45 47.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.572 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -70.75 143.74 51.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.87 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.61 160.44 32.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -65.9 127.97 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.621 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.01 142.56 29.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.134 0.492 . . . . 0.0 112.036 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -137.46 156.34 48.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.508 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -127.81 122.2 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 111.241 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -107.32 134.12 50.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.38 115.94 20.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.212 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -89.87 124.5 34.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.716 0.293 . . . . 0.0 110.484 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.401 HG12 ' N ' ' D' ' 55' ' ' THR . 5.1 t -71.49 156.14 7.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.059 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.401 ' N ' HG12 ' D' ' 54' ' ' VAL . 34.1 m -148.53 -67.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.957 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.761 0.315 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -89.38 123.79 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.705 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 39.8 m-85 -110.12 132.33 54.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.352 0.596 . . . . 0.0 112.293 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -106.28 130.76 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.841 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.522 HG12 HD12 ' A' ' 7' ' ' LEU . 19.5 t -142.73 128.11 16.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.269 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -96.67 123.62 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.416 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.767 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 2.3 mp . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 120.68 0.276 . . . . 0.0 110.534 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.8 t70 . . . . . 0 CA--C 1.52 -0.204 0 CA-C-O 121.379 0.609 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.21 -42.33 39.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.388 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -29.7 68.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.174 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.8 m -62.14 -40.22 95.23 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.049 0.452 . . . . 0.0 110.42 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.3 t80 -66.54 -47.22 73.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.948 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.04 -51.7 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.955 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -66.61 -50.24 63.65 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 25' ' ' THR . 61.7 t -61.8 -41.7 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.4 t -72.7 -44.54 59.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.03 -46.39 87.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.774 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -64.35 -44.73 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.561 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.7 -46.49 72.1 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.777 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 39.4 m-85 -74.87 -32.13 61.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -29.89 62.62 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.73 -17.82 57.34 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.035 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.651 ' OD1' HG23 ' A' ' 39' ' ' VAL . 20.5 p30 -106.6 -20.24 13.42 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.7 14.67 1.87 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.249 -0.977 . . . . 0.0 114.305 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.651 HG23 ' OD1' ' A' ' 37' ' ' ASN . 26.2 t -88.96 143.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.616 0.708 . . . . 0.0 110.679 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -154.45 -178.19 6.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.094 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.08 -143.47 17.97 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.406 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -151.88 158.98 43.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -74.07 118.58 17.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -111.15 141.58 44.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.373 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.87 143.73 52.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.089 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 159.21 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -66.72 129.97 41.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.343 . . . . 0.0 110.747 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.37 143.48 34.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.917 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -138.36 156.52 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.484 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -124.41 119.22 28.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.024 0.44 . . . . 0.0 111.44 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -105.83 133.02 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.21 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -80.85 115.99 20.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.4 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.3 m -94.1 124.04 37.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.31 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 55' ' ' THR . 5.1 t -71.39 154.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 111.416 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.751 HG22 ' HG2' ' A' ' 56' ' ' GLU . 87.4 m -140.24 -77.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.751 ' HG2' HG22 ' A' ' 55' ' ' THR . 4.9 pt-20 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.721 0.296 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.07 123.67 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.806 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.43 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 39.7 m-85 -110.04 132.05 54.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.284 0.564 . . . . 0.0 112.299 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -106.13 130.99 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.867 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.543 HG12 HD12 ' B' ' 7' ' ' LEU . 19.7 t -142.75 128.04 16.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.284 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mt -96.63 123.41 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.35 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.777 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 2.1 mp . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.462 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' B' ' 25' ' ' THR . 13.7 t70 . . . . . 0 CA--C 1.519 -0.224 0 CA-C-O 121.269 0.557 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.18 -42.27 39.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.348 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.8 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.177 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.626 ' O ' HG23 ' B' ' 29' ' ' VAL . 83.9 m -62.09 -40.08 94.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.624 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.4 t80 -66.71 -47.08 73.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.934 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.03 -51.7 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.917 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -66.79 -50.09 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 25' ' ' THR . 62.0 t -61.84 -41.64 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 26' ' ' PHE . 62.0 t -72.7 -44.6 59.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.0 -46.36 88.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.001 0.429 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.44 -44.66 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.498 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.514 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.7 t80 -67.71 -46.58 71.8 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.767 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 39.4 m-85 -74.92 -32.09 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -29.93 62.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.986 0.422 . . . . 0.0 111.005 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.77 -17.73 57.12 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.026 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.657 ' OD1' HG23 ' B' ' 39' ' ' VAL . 20.5 p30 -106.68 -20.34 13.38 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.78 14.73 1.84 Allowed Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.225 -0.988 . . . . 0.0 114.252 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.657 HG23 ' OD1' ' B' ' 37' ' ' ASN . 27.8 t -89.1 143.27 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 117.654 0.727 . . . . 0.0 110.703 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -154.44 -178.02 6.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 111.019 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.02 -143.76 18.04 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.453 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -151.54 158.73 43.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -73.88 118.75 17.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.351 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 62.9 p -111.27 141.56 44.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.344 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -69.82 143.65 52.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.023 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.42 159.22 34.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.68 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -66.76 130.1 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 143.3 36.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 111.886 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 21.3 m -138.32 156.58 47.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.346 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -124.32 119.38 29.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.999 0.428 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 38.7 m -105.98 132.92 51.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.142 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -80.97 115.97 20.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.348 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 62.5 m -94.02 123.88 37.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.238 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.401 HG12 ' N ' ' B' ' 55' ' ' THR . 5.1 t -71.43 155.06 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.946 0.403 . . . . 0.0 111.323 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.754 HG22 ' HG2' ' B' ' 56' ' ' GLU . 87.4 m -140.19 -77.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.129 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.754 ' HG2' HG22 ' B' ' 55' ' ' THR . 4.6 pt-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.41 123.81 33.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.423 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 39.8 m-85 -110.0 132.22 54.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.302 0.572 . . . . 0.0 112.29 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -106.24 130.88 54.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.914 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.522 HG12 HD12 ' C' ' 7' ' ' LEU . 19.6 t -142.77 128.22 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.375 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.5 mt -97.01 123.69 49.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.395 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.762 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 2.3 mp . . . . . 0 CA--C 1.529 0.17 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.418 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.5 t70 . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 121.456 0.646 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.423 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -49.34 -42.22 41.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.371 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.82 -29.76 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.164 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.625 ' O ' HG23 ' C' ' 29' ' ' VAL . 78.7 m -62.15 -40.16 95.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.5 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.609 ' O ' HG23 ' C' ' 30' ' ' VAL . 19.4 t80 -66.58 -47.26 73.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.985 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.97 -51.65 68.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.009 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -66.69 -50.02 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.625 HG23 ' O ' ' C' ' 25' ' ' THR . 61.7 t -61.75 -41.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.609 HG23 ' O ' ' C' ' 26' ' ' PHE . 61.3 t -72.63 -44.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.0 -46.4 87.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 0.0 110.768 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.38 -44.66 90.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.495 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.529 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.7 t80 -67.83 -46.43 71.84 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.765 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 39.6 m-85 -74.92 -32.04 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -29.98 62.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.021 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.79 -17.81 57.54 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.039 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.653 ' OD1' HG23 ' C' ' 39' ' ' VAL . 20.6 p30 -106.62 -20.3 13.4 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.7 14.65 1.87 Allowed Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.213 -0.994 . . . . 0.0 114.343 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.653 HG23 ' OD1' ' C' ' 37' ' ' ASN . 26.3 t -88.96 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 117.613 0.707 . . . . 0.0 110.777 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -154.49 -178.09 6.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 111.155 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.07 -143.49 17.97 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.433 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -151.7 158.92 44.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 111.199 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -74.09 118.58 17.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.308 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 64.0 p -111.21 141.67 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.379 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -70.03 143.68 52.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.044 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 159.31 34.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.677 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.86 130.1 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 143.0 34.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.064 0.459 . . . . 0.0 111.986 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 20.1 m -138.19 156.58 47.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.356 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -124.68 119.4 28.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 0.0 111.299 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 39.4 m -105.9 133.02 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.169 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -80.96 115.95 20.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.363 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 71.8 m -93.99 124.16 37.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.313 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.407 HG12 ' N ' ' C' ' 55' ' ' THR . 5.2 t -71.74 155.2 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 111.381 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.754 HG22 ' HG2' ' C' ' 56' ' ' GLU . 87.9 m -140.52 -77.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.084 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . 0.754 ' HG2' HG22 ' C' ' 55' ' ' THR . 4.6 pt-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.48 123.68 33.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.73 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.423 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 40.1 m-85 -109.97 132.14 54.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.288 0.566 . . . . 0.0 112.269 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -106.22 130.99 53.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.807 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.523 HG12 HD12 ' D' ' 7' ' ' LEU . 19.4 t -142.73 128.08 16.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.287 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.7 mt -96.82 123.65 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.424 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.765 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 2.3 mp . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.378 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.9 t70 . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 121.318 0.58 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.406 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -49.09 -42.29 38.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.327 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.84 69.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.169 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.625 ' O ' HG23 ' D' ' 29' ' ' VAL . 82.6 m -62.08 -40.1 94.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.452 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.604 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.5 t80 -66.54 -47.42 72.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.949 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.93 -51.61 68.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.955 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -66.6 -50.36 63.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.625 HG23 ' O ' ' D' ' 25' ' ' THR . 61.0 t -61.73 -41.63 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.604 HG23 ' O ' ' D' ' 26' ' ' PHE . 61.1 t -72.6 -44.93 59.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -62.83 -46.42 88.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.967 0.413 . . . . 0.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.26 -44.79 90.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.544 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.7 t80 -67.76 -46.46 71.98 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.762 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 39.1 m-85 -74.9 -32.16 61.74 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -29.96 62.53 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.965 178.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.83 -17.74 57.45 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.011 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.651 ' OD1' HG23 ' D' ' 39' ' ' VAL . 20.5 p30 -106.56 -20.36 13.39 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.71 14.67 1.86 Allowed Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.248 -0.977 . . . . 0.0 114.269 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.651 HG23 ' OD1' ' D' ' 37' ' ' ASN . 26.0 t -89.04 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 117.607 0.704 . . . . 0.0 110.747 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -154.51 -177.95 6.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.881 0.372 . . . . 0.0 111.037 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.95 -143.63 17.99 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.466 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -151.65 158.81 43.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.102 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -73.95 118.73 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.323 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 59.5 p -111.19 141.61 44.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.308 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -69.98 143.76 52.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.3 159.16 34.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.7 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.63 130.17 42.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.4 143.0 36.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.458 . . . . 0.0 111.908 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -138.13 156.53 47.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.41 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -124.49 119.68 29.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.0 111.393 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 36.9 m -106.34 133.08 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.154 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -80.97 116.01 20.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.442 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 61.7 m -94.02 124.12 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.28 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.69 155.06 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 111.355 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.746 HG22 ' HG2' ' D' ' 56' ' ' GLU . 87.7 m -140.31 -77.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.128 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . 0.746 ' HG2' HG22 ' D' ' 55' ' ' THR . 4.7 pt-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.45 125.22 35.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.801 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.514 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 37.4 m-85 -108.26 127.08 53.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.22 0.533 . . . . 0.0 112.17 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -106.81 124.79 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.2 125.02 14.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.7 mt -94.67 117.2 37.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.465 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.979 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 25' ' ' THR . 14.8 t70 . . . . . 0 CA--C 1.521 -0.159 0 CA-C-O 121.311 0.576 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.507 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.21 -43.23 64.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.302 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.34 75.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.078 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.2 m -63.05 -39.56 95.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.308 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.726 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.1 t80 -64.79 -53.01 53.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.974 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -53.7 -49.24 68.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.866 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -66.81 -48.67 68.23 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 25' ' ' THR . 70.7 t -63.69 -42.2 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 26' ' ' PHE . 49.0 t -69.82 -45.1 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.041 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -64.17 -45.41 88.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.94 -41.35 95.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.4 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.524 ' HZ ' HG22 ' B' ' 25' ' ' THR . 3.8 t80 -68.39 -48.39 64.83 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.432 ' HB3' HG21 ' A' ' 39' ' ' VAL . 28.9 m-85 -78.03 -31.24 50.33 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -29.22 44.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.014 0.435 . . . . 0.0 111.062 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -61.24 -17.15 51.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.118 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 39' ' ' VAL . 11.2 p30 -103.84 -17.82 14.89 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.11 16.3 2.18 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.258 -0.972 . . . . 0.0 113.919 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.436 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.0 t -89.14 143.1 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.174 0.487 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.24 -179.74 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.112 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.51 -144.78 17.76 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.408 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -149.82 157.17 42.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CZ3' ' HB2' ' C' ' 52' ' ' PHE . 88.2 m95 -72.92 120.53 18.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.406 HG21 ' OG1' ' C' ' 53' ' ' THR . 52.0 p -114.63 139.11 49.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.18 144.45 50.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.486 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.48 157.0 38.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.64 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.1 136.31 54.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.2 140.82 43.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.642 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -136.47 156.44 48.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -117.79 148.08 42.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.5 m -142.12 131.2 23.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.293 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.6 117.99 22.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.37 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -92.59 124.37 36.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.94 155.42 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.965 0.412 . . . . 0.0 111.156 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.8 m -147.73 -68.48 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.938 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.839 0.352 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -90.34 125.3 35.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.507 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.4 m-85 -108.36 127.16 53.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.254 0.549 . . . . 0.0 112.137 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -106.77 124.77 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.95 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -142.17 124.76 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -94.45 117.17 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.531 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.898 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.417 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.9 t70 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.281 0.562 . . . . 0.0 111.336 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.514 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -52.15 -43.42 64.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.215 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.28 75.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.032 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.682 ' O ' HG23 ' B' ' 29' ' ' VAL . 18.5 m -63.11 -39.37 94.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.34 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.722 ' O ' HG23 ' B' ' 30' ' ' VAL . 78.7 t80 -64.99 -53.03 52.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.877 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -53.75 -49.06 69.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.877 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -66.95 -48.71 67.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.682 HG23 ' O ' ' B' ' 25' ' ' THR . 71.2 t -63.51 -42.33 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 26' ' ' PHE . 49.5 t -69.89 -44.82 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.105 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -64.35 -45.42 87.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.987 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -65.01 -41.29 95.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.466 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.541 ' HZ ' HG22 ' A' ' 25' ' ' THR . 3.8 t80 -68.41 -48.37 64.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.442 ' HB3' HG21 ' B' ' 39' ' ' VAL . 28.7 m-85 -78.05 -31.08 50.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.31 -29.1 46.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.964 0.412 . . . . 0.0 111.04 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -61.18 -17.16 51.62 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.082 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.447 ' OD1' HG23 ' B' ' 39' ' ' VAL . 11.5 p30 -104.08 -17.72 14.82 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.92 16.46 2.2 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.931 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.447 HG23 ' OD1' ' B' ' 37' ' ' ASN . 22.0 t -89.12 143.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 117.12 0.46 . . . . 0.0 111.061 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -154.45 -179.72 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 111.129 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.47 -145.08 17.9 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -149.56 156.9 42.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.848 0.356 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -72.65 120.71 18.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.094 0.474 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 55.0 p -114.81 138.83 50.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.95 144.29 50.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.507 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.51 156.94 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.689 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.25 136.46 54.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 140.26 44.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.632 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.6 m -135.75 156.41 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.83 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -117.81 148.08 42.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 11.3 m -142.07 131.13 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.239 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.41 ' HB2' ' CZ3' ' D' ' 43' ' ' TRP . 61.2 t80 -81.47 117.94 22.3 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.379 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.412 ' OG1' HG21 ' D' ' 44' ' ' THR . 94.8 m -92.64 124.56 36.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.99 156.0 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.934 0.397 . . . . 0.0 111.08 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 55.1 m -148.16 -68.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.843 0.354 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -90.36 125.29 35.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.521 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 37.0 m-85 -108.32 127.13 53.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.287 0.565 . . . . 0.0 112.178 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -106.84 124.77 50.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.951 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.1 t -142.15 124.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -94.77 117.29 38.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.586 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.941 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.43 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.3 t70 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 121.493 0.663 . . . . 0.0 112.097 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.514 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -52.42 -43.35 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.235 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.23 75.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.666 ' O ' HG23 ' C' ' 29' ' ' VAL . 18.3 m -63.11 -39.55 95.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.213 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.714 ' O ' HG23 ' C' ' 30' ' ' VAL . 78.8 t80 -64.92 -52.9 53.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.861 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -53.79 -49.35 68.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.816 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -66.81 -48.59 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.666 HG23 ' O ' ' C' ' 25' ' ' THR . 73.3 t -63.68 -42.25 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.714 HG23 ' O ' ' C' ' 26' ' ' PHE . 53.2 t -69.8 -44.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.973 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -64.31 -45.44 87.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -65.02 -41.33 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.437 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.523 ' HZ ' HG22 ' D' ' 25' ' ' THR . 3.8 t80 -68.32 -48.46 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.425 ' HB3' HG21 ' C' ' 39' ' ' VAL . 28.7 m-85 -78.13 -31.21 49.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.27 -29.12 45.93 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.057 -0.402 . . . . 0.0 111.059 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.26 -17.15 52.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.967 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.454 ' OD1' HG23 ' C' ' 39' ' ' VAL . 11.3 p30 -104.0 -17.88 14.8 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.24 16.06 2.18 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.869 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.454 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.1 t -88.89 143.18 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.276 0.538 . . . . 0.0 111.108 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -154.32 -179.57 8.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.926 0.393 . . . . 0.0 111.138 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.29 -144.98 17.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.412 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -149.71 157.02 42.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 110.97 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.79 120.59 18.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.4 p -114.59 138.96 50.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.1 144.23 50.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.448 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.36 157.06 38.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.666 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.04 136.15 54.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.87 140.21 43.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.605 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 19.8 m -135.96 156.39 48.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -117.86 148.32 42.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 12.7 m -142.34 131.13 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.23 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . 0.401 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 61.5 t80 -81.38 118.26 22.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.483 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . 0.406 ' OG1' HG21 ' A' ' 44' ' ' THR . 91.8 m -92.82 124.34 36.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.284 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.08 155.38 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.891 0.377 . . . . 0.0 111.128 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 55.5 m -147.72 -68.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.786 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.962 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 121.006 0.431 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.46 125.18 35.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.759 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.514 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.2 m-85 -108.27 127.09 53.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.348 0.595 . . . . 0.0 112.144 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -106.75 124.58 49.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -142.2 124.88 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 34.3 mt -94.67 117.33 38.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.515 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.428 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.983 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' D' ' 25' ' ' THR . 15.1 t70 . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 121.335 0.588 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.521 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -52.06 -43.59 63.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.248 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.031 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.66 ' O ' HG23 ' D' ' 29' ' ' VAL . 18.6 m -63.01 -39.57 95.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.706 ' O ' HG23 ' D' ' 30' ' ' VAL . 78.9 t80 -64.95 -52.97 53.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.826 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -53.74 -49.28 68.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.752 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -66.82 -48.8 67.81 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.66 HG23 ' O ' ' D' ' 25' ' ' THR . 75.3 t -63.49 -42.21 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.706 HG23 ' O ' ' D' ' 26' ' ' PHE . 51.8 t -69.89 -44.96 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.034 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -64.11 -45.54 88.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.98 -41.25 95.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.388 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.53 ' HZ ' HG22 ' C' ' 25' ' ' THR . 3.8 t80 -68.46 -48.41 64.6 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.43 ' HB3' HG21 ' D' ' 39' ' ' VAL . 28.5 m-85 -78.07 -31.18 50.05 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -29.09 45.04 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.993 0.425 . . . . 0.0 111.069 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -61.14 -17.23 51.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.053 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.443 ' OD1' HG23 ' D' ' 39' ' ' VAL . 11.4 p30 -104.14 -17.85 14.75 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.24 16.42 2.13 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.855 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.443 HG23 ' OD1' ' D' ' 37' ' ' ASN . 22.0 t -89.27 143.19 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.221 0.511 . . . . 0.0 111.052 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -154.28 -179.41 7.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.17 -145.08 18.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -149.74 157.05 42.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.851 0.358 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' B' ' 52' ' ' PHE . 88.5 m95 -72.83 120.44 18.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . 0.412 HG21 ' OG1' ' B' ' 53' ' ' THR . 51.9 p -114.55 139.23 49.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.778 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -71.14 144.5 50.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.457 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.54 156.96 38.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.85 136.06 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 140.61 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.702 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -136.28 156.47 48.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -117.8 148.27 42.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 11.6 m -142.37 131.25 22.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.263 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -81.68 118.34 22.75 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.496 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -93.04 124.48 37.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.234 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.03 155.54 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 53.0 m -147.89 -68.16 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.81 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.004 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.734 0.302 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.67 123.28 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.569 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.672 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 36.9 m-85 -110.88 132.77 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.34 0.591 . . . . 0.0 112.082 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -106.44 129.32 54.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.36 123.11 11.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 mt -96.55 117.22 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.58 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.449 HD13 ' HB2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.491 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.8 t70 . . . . . 0 C--O 1.226 -0.177 0 CA-C-O 121.231 0.539 . . . . 0.0 111.811 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.677 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -45.21 -44.35 10.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.851 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -24.52 66.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.473 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 29' ' ' VAL . 96.4 m -60.73 -40.06 90.98 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.075 0.464 . . . . 0.0 110.38 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 30' ' ' VAL . 26.3 t80 -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.43 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 39.1 mt-10 -54.97 -52.74 62.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.135 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -67.39 -48.1 68.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.617 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 57.5 t -63.58 -42.01 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 26' ' ' PHE . 62.0 t -69.98 -46.2 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -63.42 -45.27 91.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.004 0.431 . . . . 0.0 110.408 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -62.83 -46.02 89.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.143 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.9 t80 -67.86 -46.35 71.97 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 37.3 m-85 -75.32 -32.75 61.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -30.65 60.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.059 0.457 . . . . 0.0 111.15 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -62.24 -17.87 59.59 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.272 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.721 ' OD1' HG23 ' A' ' 39' ' ' VAL . 21.8 p30 -106.12 -20.86 13.28 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.65 13.62 2.02 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 120.206 -0.997 . . . . 0.0 114.335 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.721 HG23 ' OD1' ' A' ' 37' ' ' ASN . 24.8 t -89.01 143.22 11.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 117.668 0.734 . . . . 0.0 110.635 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -156.84 -178.22 7.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.125 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.04 -145.42 17.68 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.261 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -148.61 156.11 41.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 111.056 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 88.8 m95 -72.9 117.1 14.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.034 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -111.05 138.58 47.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.533 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -70.24 142.73 52.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.624 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.4 158.0 37.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.55 132.48 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.772 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.36 141.14 37.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.13 0.491 . . . . 0.0 111.866 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 m -137.76 156.73 47.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.564 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -125.72 125.03 42.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.878 0.37 . . . . 0.0 111.275 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.9 m -110.36 134.26 52.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.467 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -81.03 118.13 22.22 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.2 m -92.07 121.88 34.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.324 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 55' ' ' THR . 6.4 t -71.85 156.11 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.405 ' N ' HG12 ' A' ' 54' ' ' VAL . 88.4 m -150.23 -71.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.807 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.042 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.751 0.31 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.75 123.34 33.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.677 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.2 m-85 -110.83 132.66 54.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.566 . . . . 0.0 112.122 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -106.42 129.37 54.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.36 123.36 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mt -96.85 117.18 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 111.556 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.445 HD13 ' HB2' ' B' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.502 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.1 t70 . . . . . 0 C--O 1.226 -0.171 0 CA-C-O 121.183 0.516 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.672 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -45.19 -44.3 10.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.791 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -24.68 66.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.413 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.616 ' O ' HG23 ' B' ' 29' ' ' VAL . 95.7 m -60.6 -40.14 90.7 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.18 0.514 . . . . 0.0 110.389 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.65 ' O ' HG23 ' B' ' 30' ' ' VAL . 26.3 t80 -68.87 -47.19 66.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.523 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.425 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 38.2 mt-10 -55.08 -52.55 62.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.221 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -67.36 -48.3 67.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.618 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 57.4 t -63.35 -42.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 26' ' ' PHE . 61.8 t -69.91 -46.45 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -63.24 -45.27 92.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.43 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -62.76 -45.99 90.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.617 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.8 t80 -67.93 -46.39 71.64 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.508 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 37.5 m-85 -75.27 -32.86 61.18 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -30.61 60.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.966 0.413 . . . . 0.0 111.163 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.25 -17.91 59.71 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.271 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.71 ' OD1' HG23 ' B' ' 39' ' ' VAL . 21.7 p30 -106.04 -20.96 13.26 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.78 13.82 1.97 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.224 -0.989 . . . . 0.0 114.263 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.71 HG23 ' OD1' ' B' ' 37' ' ' ASN . 25.4 t -89.18 143.09 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 117.711 0.756 . . . . 0.0 110.583 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -156.71 -177.98 7.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.095 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.88 -145.53 17.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.145 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -148.65 156.05 41.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 111.041 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 89.0 m95 -72.85 116.84 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -110.83 138.63 46.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.555 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.3 142.59 52.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.624 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.452 ' CG ' ' HG1' ' D' ' 51' ' ' THR . 1.0 OUTLIER -71.37 157.94 37.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.681 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.48 132.81 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.67 141.46 37.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.042 0.448 . . . . 0.0 111.868 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 34.8 m -138.36 156.95 47.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.457 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -125.81 125.2 42.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.96 0.41 . . . . 0.0 111.298 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.435 ' HG1' ' CG ' ' D' ' 46' ' ' ASP . 20.1 m -110.14 134.17 52.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.415 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -81.07 118.1 22.21 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.202 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 97.0 m -91.97 121.99 34.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.318 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 55' ' ' THR . 6.2 t -71.96 156.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 111.071 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.415 ' N ' HG12 ' B' ' 54' ' ' VAL . 89.0 m -150.15 -71.63 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.078 179.733 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.87 0.367 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -89.35 123.24 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.588 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.667 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 36.7 m-85 -110.94 132.9 53.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.352 0.596 . . . . 0.0 112.095 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -106.54 129.36 54.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.41 123.23 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.726 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -96.61 117.12 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 111.554 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' C' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.6 t70 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 121.228 0.537 . . . . 0.0 112.165 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.667 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -45.18 -44.12 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.745 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -24.63 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.345 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.622 ' O ' HG23 ' C' ' 29' ' ' VAL . 96.0 m -60.6 -40.25 91.12 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 0.0 110.291 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.645 ' O ' HG23 ' C' ' 30' ' ' VAL . 25.8 t80 -68.68 -47.3 66.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.598 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' CE2' ' C' ' 43' ' ' TRP . 38.5 mt-10 -54.94 -52.66 62.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.146 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -67.36 -48.27 67.94 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.622 HG23 ' O ' ' C' ' 25' ' ' THR . 58.3 t -63.42 -42.23 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.645 HG23 ' O ' ' C' ' 26' ' ' PHE . 59.1 t -69.69 -46.38 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -63.22 -45.28 92.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.008 0.432 . . . . 0.0 110.473 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -62.87 -46.13 89.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.116 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.622 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.8 t80 -67.76 -46.46 72.02 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 37.3 m-85 -75.28 -32.67 61.09 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -30.41 60.9 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.958 0.408 . . . . 0.0 111.126 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.27 -18.01 60.09 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.197 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.723 ' OD1' HG23 ' C' ' 39' ' ' VAL . 21.9 p30 -105.96 -20.95 13.27 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.91 13.68 1.96 Allowed Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.168 -1.015 . . . . 0.0 114.242 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.723 HG23 ' OD1' ' C' ' 37' ' ' ASN . 25.7 t -89.13 143.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 117.645 0.722 . . . . 0.0 110.602 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -156.84 -178.28 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.932 0.396 . . . . 0.0 111.026 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.13 -145.33 17.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.276 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -148.8 156.15 41.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . 0.422 ' CE2' ' HG2' ' C' ' 27' ' ' GLU . 88.9 m95 -72.97 116.97 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.8 p -110.87 138.7 46.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.599 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.3 142.69 52.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.651 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.54 157.94 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.976 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.37 132.78 49.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.748 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.55 141.21 38.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.883 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 32.1 m -137.78 156.66 47.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.483 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -125.71 125.04 42.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.939 0.4 . . . . 0.0 111.248 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 20.2 m -110.29 134.22 52.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.454 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -81.13 118.01 22.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.217 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 96.9 m -92.07 121.97 34.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.213 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.415 HG12 ' N ' ' C' ' 55' ' ' THR . 6.4 t -71.74 156.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.111 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.415 ' N ' HG12 ' C' ' 54' ' ' VAL . 87.3 m -150.42 -71.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.875 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.072 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -89.38 123.17 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.606 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.667 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.0 m-85 -110.88 132.68 54.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.388 0.613 . . . . 0.0 112.183 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -106.4 129.44 54.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.42 122.99 11.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.754 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mt -96.29 116.97 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 111.482 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' D' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.495 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.8 t70 . . . . . 0 C--O 1.226 -0.151 0 CA-C-O 121.183 0.516 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.667 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -45.15 -44.35 10.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.773 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.68 -24.56 66.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.39 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.612 ' O ' HG23 ' D' ' 29' ' ' VAL . 95.6 m -60.68 -40.07 90.81 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.179 0.514 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.654 ' O ' HG23 ' D' ' 30' ' ' VAL . 26.1 t80 -68.95 -47.06 66.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.56 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . 0.429 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 37.6 mt-10 -55.01 -52.72 62.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.109 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -67.53 -48.15 67.86 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.622 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 57.6 t -63.42 -42.14 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.654 HG23 ' O ' ' D' ' 26' ' ' PHE . 61.8 t -69.93 -46.28 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -63.29 -45.38 91.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.423 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -62.71 -45.99 90.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.158 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.611 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.8 t80 -68.0 -46.39 71.43 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.505 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 37.6 m-85 -75.26 -32.7 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -30.6 61.04 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.138 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -62.26 -17.8 59.48 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.258 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.711 ' OD1' HG23 ' D' ' 39' ' ' VAL . 21.8 p30 -106.12 -20.93 13.26 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.73 13.77 1.98 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.226 -0.988 . . . . 0.0 114.288 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.711 HG23 ' OD1' ' D' ' 37' ' ' ASN . 25.2 t -89.16 143.2 11.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 117.632 0.716 . . . . 0.0 110.542 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -156.82 -178.03 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.03 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.86 -145.63 17.81 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.222 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -148.55 155.89 41.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 111.095 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . 0.429 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 88.9 m95 -72.72 117.05 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 59.0 p -110.94 138.57 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.51 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.2 142.78 52.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.653 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . 0.435 ' CG ' ' HG1' ' B' ' 51' ' ' THR . 1.0 OUTLIER -71.49 157.87 37.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.41 132.61 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.2 140.62 38.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.912 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 32.9 m -136.96 156.55 48.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.558 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -125.6 124.98 42.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 111.235 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . 0.452 ' HG1' ' CG ' ' B' ' 46' ' ' ASP . 19.8 m -110.56 134.16 52.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.431 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -81.06 117.99 22.12 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.224 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -91.76 121.8 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.305 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.415 HG12 ' N ' ' D' ' 55' ' ' THR . 6.3 t -71.8 156.11 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 111.103 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.415 ' N ' HG12 ' D' ' 54' ' ' VAL . 88.3 m -150.07 -71.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.211 -0.899 . . . . 0.0 111.104 179.695 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.816 0.341 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.61 ' HG3' HG23 ' D' ' 49' ' ' THR . 0.9 OUTLIER -91.78 125.51 36.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.049 179.175 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.477 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 43.4 m-85 -109.68 134.63 51.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.319 0.58 . . . . 0.0 112.488 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -106.57 126.99 52.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.487 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.92 130.25 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.371 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -97.14 133.12 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.317 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.9 t70 . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 121.209 0.528 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.474 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.45 -43.25 55.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.38 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.55 73.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.086 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.665 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.5 m -63.27 -41.43 99.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.355 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.742 ' O ' HG23 ' A' ' 30' ' ' VAL . 59.4 t80 -65.08 -53.57 43.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.027 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 30.6 mt-10 -54.22 -49.02 70.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.081 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.65 -50.4 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 25' ' ' THR . 57.6 t -61.72 -39.59 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.9 t -69.0 -45.63 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.797 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -64.5 -45.06 88.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.059 0.457 . . . . 0.0 110.668 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -64.31 -43.3 95.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.335 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.648 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 3.9 t80 -67.52 -47.59 69.5 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.511 ' HB3' HG21 ' A' ' 39' ' ' VAL . 29.7 m-85 -78.28 -32.29 49.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.18 -29.15 30.14 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.008 0.432 . . . . 0.0 111.171 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -61.3 -17.14 52.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.143 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.504 ' OD1' HG23 ' A' ' 39' ' ' VAL . 12.3 p30 -103.9 -18.03 14.78 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.63 17.22 2.15 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.704 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 34' ' ' PHE . 25.6 t -88.43 143.23 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 117.084 0.442 . . . . 0.0 110.899 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -152.96 178.55 9.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 0.0 111.114 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.76 -144.68 17.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.368 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -150.12 157.39 43.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.983 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 85.6 m95 -73.52 122.08 21.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.9 p -114.79 138.19 51.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.659 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -71.83 143.67 49.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.744 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.38 156.72 39.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.691 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 141.56 55.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.775 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.57 138.59 51.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.589 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.601 HG23 ' HG3' ' D' ' 2' ' ' GLN . 56.0 m -128.55 156.67 42.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.11 137.58 52.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.762 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.2 m -136.64 126.38 25.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -80.76 124.8 29.35 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.633 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -99.11 122.26 42.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.261 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.88 155.72 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.929 0.395 . . . . 0.0 111.153 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 m -150.73 -70.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.958 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.853 0.359 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.62 ' HG3' HG23 ' C' ' 49' ' ' THR . 0.9 OUTLIER -91.94 125.63 36.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.065 179.249 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.474 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 44.1 m-85 -109.83 134.66 51.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -106.65 127.0 53.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.485 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.97 130.39 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.481 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 12.6 mt -97.41 132.14 42.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.433 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.531 HD22 ' HB2' ' B' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.219 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.679 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.6 t70 . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 121.402 0.62 . . . . 0.0 111.92 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.477 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.75 -43.36 58.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.457 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.64 74.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.045 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.669 ' O ' HG23 ' B' ' 29' ' ' VAL . 27.5 m -63.3 -41.38 98.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.73 ' O ' HG23 ' B' ' 30' ' ' VAL . 59.3 t80 -64.94 -53.66 42.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.97 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 29.6 mt-10 -54.29 -48.95 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.033 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.7 -50.43 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 25' ' ' THR . 57.7 t -61.71 -39.65 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.73 HG23 ' O ' ' B' ' 26' ' ' PHE . 62.9 t -68.89 -45.88 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.789 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -64.37 -45.11 89.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.538 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -64.2 -43.47 94.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.405 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.645 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 3.9 t80 -67.28 -47.61 70.15 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.519 ' HB3' HG21 ' B' ' 39' ' ' VAL . 29.1 m-85 -78.21 -32.46 49.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.06 -29.14 28.27 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 122.033 -0.417 . . . . 0.0 111.112 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -61.24 -17.11 51.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.149 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.503 ' OD1' HG23 ' B' ' 39' ' ' VAL . 12.4 p30 -104.09 -18.01 14.71 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.59 17.54 2.11 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.68 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 34' ' ' PHE . 25.2 t -88.71 143.25 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.091 0.445 . . . . 0.0 110.836 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -153.12 178.04 10.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.916 0.389 . . . . 0.0 111.103 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.47 -144.5 17.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -150.3 157.35 42.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 85.5 m95 -73.63 122.16 21.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.112 0.482 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.404 HG21 ' OG1' ' D' ' 53' ' ' THR . 67.9 p -114.86 138.31 50.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.632 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -71.94 143.65 49.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.691 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.48 156.84 38.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.52 141.59 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.69 138.8 52.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.572 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.616 HG23 ' HG3' ' C' ' 2' ' ' GLN . 57.0 m -129.11 156.75 43.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.024 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -116.12 137.61 51.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.978 0.418 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 33.3 m -136.53 126.39 25.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.249 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -80.63 124.43 28.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.723 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.407 ' OG1' HG21 ' D' ' 44' ' ' THR . 84.7 m -98.92 122.31 42.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.272 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.07 155.6 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.86 0.362 . . . . 0.0 111.218 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.8 m -150.74 -70.5 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.047 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.877 0.37 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.616 ' HG3' HG23 ' B' ' 49' ' ' THR . 1.0 OUTLIER -91.87 125.72 36.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.978 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.469 ' CD1' ' CD1' ' D' ' 26' ' ' PHE . 43.3 m-85 -109.87 134.59 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.354 0.597 . . . . 0.0 112.494 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -106.54 126.73 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.48 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.75 130.16 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.426 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -97.01 133.2 39.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' C' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.286 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.431 ' O ' ' HB ' ' C' ' 25' ' ' THR . 14.2 t70 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 121.282 0.563 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.441 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -50.26 -43.29 53.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.378 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.67 -32.7 74.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.654 ' O ' HG23 ' C' ' 29' ' ' VAL . 28.7 m -63.21 -41.58 99.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.745 ' O ' HG23 ' C' ' 30' ' ' VAL . 59.0 t80 -64.84 -53.77 41.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.949 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 29.5 mt-10 -54.21 -48.82 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.083 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.86 -50.32 65.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.654 HG23 ' O ' ' C' ' 25' ' ' THR . 57.3 t -61.8 -39.66 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.745 HG23 ' O ' ' C' ' 26' ' ' PHE . 62.2 t -68.92 -45.68 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.745 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 53.5 tttt -64.5 -45.01 89.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.02 0.438 . . . . 0.0 110.59 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -64.35 -43.25 95.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.368 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.647 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 3.9 t80 -67.4 -47.66 69.64 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.516 ' HB3' HG21 ' C' ' 39' ' ' VAL . 29.1 m-85 -78.25 -32.28 49.61 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -53.27 -29.13 31.33 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.95 0.405 . . . . 0.0 111.14 179.15 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -61.25 -17.19 52.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.154 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.514 ' OD1' HG23 ' C' ' 39' ' ' VAL . 12.4 p30 -103.91 -18.14 14.73 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.84 17.27 2.1 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.783 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.516 HG21 ' HB3' ' C' ' 34' ' ' PHE . 24.7 t -88.31 143.3 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.099 0.45 . . . . 0.0 110.881 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -153.22 178.13 10.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.961 0.41 . . . . 0.0 111.082 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.23 -144.63 17.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.317 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -150.14 157.26 42.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 85.2 m95 -73.53 122.02 21.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.112 0.482 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.8 p -114.75 138.25 50.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.647 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.79 143.82 49.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.686 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.57 156.74 39.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.51 141.7 55.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.66 138.69 52.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.626 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . 0.62 HG23 ' HG3' ' B' ' 2' ' ' GLN . 56.5 m -128.63 156.59 43.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.02 137.73 51.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 33.2 m -136.82 126.34 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.229 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -80.67 124.6 29.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.637 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -99.05 122.29 42.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.257 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.84 155.71 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.375 . . . . 0.0 111.159 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 72.4 m -150.74 -70.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.947 179.853 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . 0.601 ' HG3' HG23 ' A' ' 49' ' ' THR . 0.9 OUTLIER -91.78 125.62 36.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.055 179.202 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.463 ' CD1' ' CD1' ' C' ' 26' ' ' PHE . 43.7 m-85 -109.81 134.5 51.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.381 0.61 . . . . 0.0 112.405 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -106.5 126.79 52.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.477 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.63 130.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.424 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -97.14 132.99 40.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' D' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.302 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.9 t70 . . . . . 0 CA--C 1.52 -0.18 0 CA-C-O 121.31 0.576 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.444 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -50.44 -43.44 55.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.352 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.51 73.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.663 ' O ' HG23 ' D' ' 29' ' ' VAL . 28.9 m -63.23 -41.56 99.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.356 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.75 ' O ' HG23 ' D' ' 30' ' ' VAL . 59.0 t80 -64.89 -53.74 41.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.964 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 29.7 mt-10 -54.3 -48.78 70.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.098 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -65.81 -50.39 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.663 HG23 ' O ' ' D' ' 25' ' ' THR . 57.9 t -61.7 -39.63 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.75 HG23 ' O ' ' D' ' 26' ' ' PHE . 61.7 t -68.97 -45.8 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.752 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -64.36 -45.04 89.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.01 0.433 . . . . 0.0 110.522 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -64.38 -43.46 94.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.32 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.64 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 3.9 t80 -67.26 -47.59 70.25 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.501 ' HB3' HG21 ' D' ' 39' ' ' VAL . 29.3 m-85 -78.3 -32.27 49.27 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.27 -29.14 31.4 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.899 0.381 . . . . 0.0 111.086 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -61.2 -17.18 51.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.064 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.511 ' OD1' HG23 ' D' ' 39' ' ' VAL . 12.4 p30 -103.93 -18.1 14.74 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.61 17.57 2.1 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.211 -0.995 . . . . 0.0 113.688 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.511 HG23 ' OD1' ' D' ' 37' ' ' ASN . 25.9 t -88.67 143.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 117.094 0.447 . . . . 0.0 110.799 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -153.06 178.27 9.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.916 0.389 . . . . 0.0 111.101 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.15 -144.71 17.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.354 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -150.13 157.31 42.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.971 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 85.0 m95 -73.61 122.07 21.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.077 0.465 . . . . 0.0 111.111 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . 0.407 HG21 ' OG1' ' B' ' 53' ' ' THR . 66.8 p -114.74 138.14 51.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.669 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.76 143.51 49.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.742 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.36 156.71 39.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.763 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.37 141.53 55.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.748 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.58 138.49 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.57 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . 0.61 HG23 ' HG3' ' A' ' 2' ' ' GLN . 55.2 m -128.29 156.57 42.83 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.13 137.33 52.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.782 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 34.0 m -136.58 126.41 25.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.251 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -80.58 124.44 28.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.666 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . 0.404 ' OG1' HG21 ' B' ' 44' ' ' THR . 85.1 m -98.85 122.26 41.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.338 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.02 155.7 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.401 . . . . 0.0 111.187 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 73.2 m -150.71 -70.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.982 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.756 0.313 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -87.18 123.12 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.657 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 36.0 m-85 -108.67 129.53 55.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.347 0.594 . . . . 0.0 112.098 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.2 125.64 51.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.605 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.505 HG12 HD12 ' A' ' 7' ' ' LEU . 17.5 t -142.34 125.58 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.247 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.58 124.57 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.491 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.758 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.077 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.1 t70 . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 121.337 0.589 . . . . 0.0 111.605 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.57 -42.99 56.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.328 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.45 -29.52 69.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' VAL . 87.2 m -62.2 -39.41 92.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.075 0.464 . . . . 0.0 110.401 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 30' ' ' VAL . 16.9 t80 -67.82 -50.41 56.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.861 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -53.75 -54.63 35.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.368 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.75 -50.44 64.74 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.652 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 55.3 t -62.96 -42.21 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.2 t -70.57 -45.77 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.32 -46.08 88.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.076 0.465 . . . . 0.0 110.399 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.59 -46.79 86.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.25 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.648 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.5 t80 -67.13 -45.9 75.72 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.75 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 35.4 m-85 -75.07 -34.63 61.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.38 -31.65 61.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.016 0.436 . . . . 0.0 110.931 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.14 -17.62 58.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.062 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' A' ' 39' ' ' VAL . 17.9 p30 -105.53 -21.54 13.19 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.0 14.31 1.85 Allowed Glycine 0 CA--C 1.523 0.58 0 C-N-CA 120.308 -0.948 . . . . 0.0 114.239 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.662 HG23 ' OD1' ' A' ' 37' ' ' ASN . 31.6 t -88.96 143.29 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 117.581 0.69 . . . . 0.0 110.492 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.5 179.03 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 111.104 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.87 -144.82 17.59 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.391 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -149.01 156.13 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -73.89 118.15 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.14 0.495 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.2 p -110.91 141.28 44.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.527 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -69.75 143.98 52.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.897 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.32 159.26 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.033 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.32 128.97 38.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.515 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.28 142.35 32.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.868 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -136.49 156.6 48.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -124.27 119.85 30.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.988 0.423 . . . . 0.0 111.426 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.4 m -106.58 131.94 53.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.394 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -80.47 117.33 21.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.293 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -91.51 124.11 35.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.408 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 55' ' ' THR . 8.6 t -72.03 156.81 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.982 0.42 . . . . 0.0 111.112 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.428 ' N ' HG12 ' A' ' 54' ' ' VAL . 69.8 m -150.13 -69.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.825 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.046 179.845 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -87.25 122.99 31.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.655 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.42 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 36.0 m-85 -108.65 129.4 55.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.291 0.567 . . . . 0.0 112.143 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.07 125.74 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.62 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.52 HG12 HD12 ' B' ' 7' ' ' LEU . 17.5 t -142.41 125.57 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.281 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.55 124.46 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.441 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.75 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.172 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' B' ' 25' ' ' THR . 29.1 t70 . . . . . 0 CA--C 1.521 -0.173 0 CA-C-O 121.402 0.62 . . . . 0.0 111.641 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.5 -43.0 55.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.284 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.56 69.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.591 ' O ' HG23 ' B' ' 29' ' ' VAL . 88.3 m -62.08 -39.47 92.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.054 0.454 . . . . 0.0 110.421 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.62 ' O ' HG23 ' B' ' 30' ' ' VAL . 16.9 t80 -67.9 -50.42 56.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.805 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -53.8 -54.46 38.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.335 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -65.95 -50.33 64.73 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.648 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 56.1 t -62.93 -42.25 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 26' ' ' PHE . 57.3 t -70.55 -45.93 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.2 -45.99 89.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.986 0.422 . . . . 0.0 110.445 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.53 -46.9 86.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.216 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.652 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.6 t80 -67.13 -45.98 75.5 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.758 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 35.3 m-85 -74.96 -34.72 62.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -31.65 61.88 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.042 0.449 . . . . 0.0 110.899 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.13 -17.69 58.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.023 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' B' ' 39' ' ' VAL . 17.8 p30 -105.43 -21.64 13.18 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.01 14.41 1.84 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.284 -0.96 . . . . 0.0 114.161 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.662 HG23 ' OD1' ' B' ' 37' ' ' ASN . 30.5 t -89.0 143.31 11.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 117.622 0.711 . . . . 0.0 110.554 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.63 178.87 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.03 -144.9 17.55 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.416 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -148.92 156.13 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.75 118.14 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.159 0.504 . . . . 0.0 111.222 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 60.5 p -110.97 141.31 44.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.412 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -69.85 144.15 52.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.864 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.46 159.15 34.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.956 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.29 129.15 38.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.434 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.57 142.42 33.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.115 0.483 . . . . 0.0 111.859 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -136.44 156.61 48.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.511 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -124.36 119.72 30.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.981 0.42 . . . . 0.0 111.385 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -106.5 132.05 52.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.402 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -80.47 117.33 21.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.27 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 84.8 m -91.53 124.01 35.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.468 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.436 HG12 ' N ' ' B' ' 55' ' ' THR . 8.6 t -71.91 156.93 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.968 0.413 . . . . 0.0 111.146 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.436 ' N ' HG12 ' B' ' 54' ' ' VAL . 70.3 m -150.25 -69.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.759 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.992 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.428 ' HA ' ' HE3' ' C' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.709 0.29 . . . . 0.0 111.167 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -87.18 123.14 31.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 36.1 m-85 -108.73 129.53 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.326 0.584 . . . . 0.0 112.073 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.19 125.58 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.593 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.513 HG12 HD12 ' C' ' 7' ' ' LEU . 17.2 t -142.31 125.56 14.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.309 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.1 mt -93.59 124.46 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.434 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.741 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.079 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.9 t70 . . . . . 0 CA--C 1.52 -0.177 0 CA-C-O 121.406 0.622 . . . . 0.0 111.603 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.63 -42.93 56.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.246 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -29.53 68.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.607 ' O ' HG23 ' C' ' 29' ' ' VAL . 90.0 m -62.14 -39.43 92.56 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.048 0.452 . . . . 0.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.631 ' O ' HG23 ' C' ' 30' ' ' VAL . 16.8 t80 -67.78 -50.5 56.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.832 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -53.72 -54.63 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.283 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.74 -50.49 64.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 55.3 t -62.94 -42.21 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.631 HG23 ' O ' ' C' ' 26' ' ' PHE . 57.3 t -70.5 -45.98 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -63.17 -46.05 88.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.087 0.47 . . . . 0.0 110.439 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.54 -46.96 85.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.21 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.651 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.6 t80 -67.07 -45.81 76.19 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.755 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 35.5 m-85 -75.07 -34.71 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.27 -31.73 61.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.024 0.44 . . . . 0.0 110.902 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.18 -17.52 58.33 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.994 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.675 ' OD1' HG23 ' C' ' 39' ' ' VAL . 17.9 p30 -105.52 -21.61 13.17 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.0 14.41 1.84 Allowed Glycine 0 CA--C 1.523 0.542 0 C-N-CA 120.323 -0.942 . . . . 0.0 114.178 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.675 HG23 ' OD1' ' C' ' 37' ' ' ASN . 31.7 t -89.03 143.27 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 117.614 0.707 . . . . 0.0 110.52 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.51 179.1 9.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.03 0.443 . . . . 0.0 111.086 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.89 -144.72 17.53 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.364 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -149.01 156.2 41.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.85 118.12 16.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.163 0.506 . . . . 0.0 111.214 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.6 p -110.99 141.29 44.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.499 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -69.82 144.04 52.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.833 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.36 159.25 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.33 129.16 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.499 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.53 142.48 33.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.112 0.482 . . . . 0.0 111.803 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -136.53 156.56 48.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.541 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -124.34 119.71 30.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.034 0.445 . . . . 0.0 111.461 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 44.7 m -106.37 131.95 52.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.388 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -80.45 117.27 21.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.264 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -91.45 124.0 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.411 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.436 HG12 ' N ' ' C' ' 55' ' ' THR . 8.9 t -71.97 156.88 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 0.0 111.151 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.436 ' N ' HG12 ' C' ' 54' ' ' VAL . 71.1 m -150.18 -69.38 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.781 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.075 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.758 0.313 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -87.12 123.06 31.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.682 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.417 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.0 m-85 -108.61 129.43 55.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.234 0.54 . . . . 0.0 112.119 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -106.17 125.78 51.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.598 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.511 HG12 HD12 ' D' ' 7' ' ' LEU . 17.2 t -142.41 125.52 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.258 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.49 124.48 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.506 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.755 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.111 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' D' ' 25' ' ' THR . 29.1 t70 . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 121.473 0.654 . . . . 0.0 111.503 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.65 -42.9 56.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.241 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.57 -29.59 68.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.607 ' O ' HG23 ' D' ' 29' ' ' VAL . 86.8 m -62.15 -39.27 92.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.43 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' D' ' 30' ' ' VAL . 17.0 t80 -67.98 -50.39 55.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.811 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.71 -54.63 35.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.276 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.95 -50.35 64.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.651 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 55.8 t -62.95 -42.23 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.635 HG23 ' O ' ' D' ' 26' ' ' PHE . 57.6 t -70.49 -45.91 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.22 -46.04 88.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.008 0.432 . . . . 0.0 110.386 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.58 -46.85 86.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.238 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.6 t80 -67.08 -45.91 75.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.741 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 35.6 m-85 -75.13 -34.53 61.67 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -31.65 62.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.1 0.476 . . . . 0.0 110.966 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.15 -17.63 58.5 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.003 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.669 ' OD1' HG23 ' D' ' 39' ' ' VAL . 17.9 p30 -105.53 -21.55 13.19 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.85 14.54 1.85 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.33 -0.938 . . . . 0.0 114.234 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.669 HG23 ' OD1' ' D' ' 37' ' ' ASN . 31.4 t -89.11 143.31 11.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 117.541 0.671 . . . . 0.0 110.505 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.59 178.93 9.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.02 -144.95 17.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.295 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -148.92 156.15 41.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.89 118.2 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.231 0.539 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 60.9 p -110.99 141.26 44.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.5 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -69.78 144.03 52.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.923 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 159.25 34.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.36 128.98 38.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.47 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.29 142.3 32.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.897 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -136.46 156.6 48.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.537 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -124.25 119.72 30.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 111.458 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 44.7 m -106.42 132.07 52.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.389 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -80.54 117.35 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -91.48 124.0 35.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.472 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.435 HG12 ' N ' ' D' ' 55' ' ' THR . 8.7 t -71.89 156.95 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.937 0.399 . . . . 0.0 111.144 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.435 ' N ' HG12 ' D' ' 54' ' ' VAL . 70.9 m -150.33 -69.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.803 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.97 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.859 0.362 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -88.86 124.55 34.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.804 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.67 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 42.4 m-85 -112.8 132.11 55.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.405 0.621 . . . . 0.0 112.355 -179.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -106.36 128.39 53.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.91 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.34 124.09 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.933 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' B' ' 1' ' ' MET . 34.5 mt -96.95 117.19 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.871 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.463 0.181 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.0 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.2 t70 . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 121.208 0.528 . . . . 0.0 111.653 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.695 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -51.29 -43.66 61.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.374 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -30.41 70.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.195 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 29' ' ' VAL . 27.2 m -62.09 -36.45 81.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.049 0.452 . . . . 0.0 110.224 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.684 ' O ' HG23 ' A' ' 30' ' ' VAL . 37.3 t80 -67.09 -47.66 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.692 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.98 -51.03 70.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.008 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -67.27 -48.89 66.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 25' ' ' THR . 59.3 t -62.13 -40.71 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 26' ' ' PHE . 60.6 t -71.87 -45.56 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -62.63 -46.11 89.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.014 0.435 . . . . 0.0 110.764 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -63.09 -45.84 90.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.355 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.5 t80 -68.03 -46.58 70.8 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.686 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 39.7 m-85 -75.02 -30.93 61.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -30.56 63.4 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 111.194 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.2 -17.88 59.47 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.274 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.7 p30 -106.27 -21.09 13.2 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.49 13.31 1.88 Allowed Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.26 -0.971 . . . . 0.0 114.084 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.655 HG23 ' OD1' ' A' ' 37' ' ' ASN . 24.3 t -88.73 143.39 11.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 117.611 0.706 . . . . 0.0 110.546 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -157.96 -178.98 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.084 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.24 -145.07 17.52 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.216 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -148.34 155.3 41.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -74.26 115.29 13.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.22 142.19 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.441 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.35 144.79 51.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.877 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.37 158.8 35.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.07 129.97 41.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.55 141.18 32.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.065 0.46 . . . . 0.0 112.128 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -138.6 156.66 47.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.577 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -126.03 123.32 38.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 111.245 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.2 m -107.74 134.21 51.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.434 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.59 116.43 20.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.26 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.3 m -90.77 122.73 33.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.329 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -71.46 155.64 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 111.229 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 m -149.88 -69.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.886 -179.811 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 6.6 tpt . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -88.7 124.53 34.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.819 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.695 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 41.9 m-85 -112.82 132.06 55.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.389 0.614 . . . . 0.0 112.461 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -106.42 128.4 54.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.96 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.19 124.1 13.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.932 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 35.7 mt -96.84 117.17 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.839 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.686 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.017 178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.463 ' O ' ' HB ' ' B' ' 25' ' ' THR . 12.6 t70 . . . . . 0 CA--C 1.521 -0.161 0 CA-C-O 121.265 0.555 . . . . 0.0 111.549 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.67 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.43 -43.28 61.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.291 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.49 70.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.176 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.653 ' O ' HG23 ' B' ' 29' ' ' VAL . 26.0 m -62.14 -36.26 81.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.206 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.69 ' O ' HG23 ' B' ' 30' ' ' VAL . 37.8 t80 -67.23 -47.68 70.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.719 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.96 -51.14 70.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.951 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -67.08 -48.79 67.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 25' ' ' THR . 60.4 t -62.24 -40.6 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 26' ' ' PHE . 61.3 t -71.92 -45.49 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -62.74 -45.93 90.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 110.734 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.38 -45.73 89.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.228 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.5 t80 -68.06 -46.54 70.79 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.665 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 39.9 m-85 -75.08 -31.02 61.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.65 -30.53 63.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.256 178.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -62.33 -17.66 59.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.261 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.661 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.6 p30 -106.32 -21.11 13.19 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.28 13.28 1.93 Allowed Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.32 -0.943 . . . . 0.0 114.252 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.661 HG23 ' OD1' ' B' ' 37' ' ' ASN . 24.5 t -88.74 143.29 11.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 117.535 0.668 . . . . 0.0 110.611 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -157.89 -179.16 7.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 111.095 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.44 -144.8 17.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.148 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -148.59 155.29 40.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -74.31 115.43 13.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.165 0.507 . . . . 0.0 111.19 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 31.1 p -110.35 142.01 42.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.472 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.28 144.57 51.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.839 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.22 158.86 35.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.1 130.15 42.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.686 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.59 141.05 33.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.085 0.469 . . . . 0.0 112.093 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -138.41 156.55 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.425 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -126.09 123.44 38.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 0.0 111.2 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 31.3 m -107.95 134.37 50.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.45 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.65 116.54 20.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.255 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 86.2 m -90.99 122.46 33.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.353 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.403 HG12 ' N ' ' B' ' 55' ' ' THR . 4.9 t -71.25 155.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.871 0.367 . . . . 0.0 111.24 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.403 ' N ' HG12 ' B' ' 54' ' ' VAL . 61.8 m -149.92 -69.67 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.923 -179.876 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.829 0.347 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -88.83 124.56 34.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.673 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 42.4 m-85 -112.83 132.26 55.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.411 0.625 . . . . 0.0 112.443 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -106.42 128.33 53.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.973 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.24 124.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.006 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -97.15 117.19 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.926 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.698 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.97 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.467 ' O ' ' HB ' ' C' ' 25' ' ' THR . 12.0 t70 . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 121.528 0.68 . . . . 0.0 112.439 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.655 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -51.88 -43.65 63.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.423 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -30.48 70.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.659 ' O ' HG23 ' C' ' 29' ' ' VAL . 25.7 m -62.18 -36.17 81.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.212 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.673 ' O ' HG23 ' C' ' 30' ' ' VAL . 38.4 t80 -67.16 -47.84 69.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.669 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.92 -51.17 70.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.931 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -66.96 -48.9 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.659 HG23 ' O ' ' C' ' 25' ' ' THR . 60.3 t -62.22 -40.57 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.673 HG23 ' O ' ' C' ' 26' ' ' PHE . 60.5 t -72.08 -45.48 62.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -62.73 -46.04 89.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 0.0 110.661 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.27 -45.91 89.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.317 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.501 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.5 t80 -67.94 -46.54 71.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.706 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 39.9 m-85 -75.02 -31.06 61.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -30.52 63.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 111.2 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.22 -17.88 59.52 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.306 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.664 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.7 p30 -106.22 -20.93 13.25 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.15 13.42 1.94 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.293 -0.956 . . . . 0.0 114.216 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.664 HG23 ' OD1' ' C' ' 37' ' ' ASN . 23.7 t -88.84 143.29 11.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.551 0.676 . . . . 0.0 110.678 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -158.05 -179.34 8.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.946 0.403 . . . . 0.0 111.192 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.83 -144.89 17.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.144 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -148.24 155.23 41.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.374 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.32 115.27 13.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.231 0.538 . . . . 0.0 111.193 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.23 142.14 42.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.403 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.31 144.61 51.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.868 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.18 158.9 35.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.99 129.92 41.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.716 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.23 140.8 31.58 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.009 0.433 . . . . 0.0 111.947 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -138.5 156.57 47.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.57 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -126.32 123.19 37.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.013 0.435 . . . . 0.0 111.325 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -107.54 134.46 50.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.486 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.57 116.35 20.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -90.81 122.58 33.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.327 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.403 HG12 ' N ' ' C' ' 55' ' ' THR . 4.8 t -71.46 156.03 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.959 0.409 . . . . 0.0 111.193 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.403 ' N ' HG12 ' C' ' 54' ' ' VAL . 64.8 m -150.28 -69.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.002 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.932 -179.753 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -88.63 124.53 34.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.592 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.655 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 42.2 m-85 -112.82 132.27 55.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.46 0.648 . . . . 0.0 112.504 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -106.37 128.38 53.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.953 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.33 124.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 34.2 mt -97.02 117.18 41.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.856 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.706 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.468 ' O ' ' HB ' ' D' ' 25' ' ' THR . 12.8 t70 . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 121.328 0.585 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.673 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -51.38 -43.52 61.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.317 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.26 -30.65 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.652 ' O ' HG23 ' D' ' 29' ' ' VAL . 26.6 m -62.04 -36.3 81.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.186 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.679 ' O ' HG23 ' D' ' 30' ' ' VAL . 36.8 t80 -67.12 -47.89 69.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.663 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.78 -51.24 69.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.924 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -67.13 -48.82 66.94 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.652 HG23 ' O ' ' D' ' 25' ' ' THR . 61.7 t -62.27 -40.67 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.679 HG23 ' O ' ' D' ' 26' ' ' PHE . 60.7 t -71.84 -45.75 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -62.47 -46.05 90.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.985 0.421 . . . . 0.0 110.764 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.32 -45.74 89.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.295 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.6 t80 -68.11 -46.57 70.55 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.698 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 40.4 m-85 -75.02 -30.97 61.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -30.49 63.38 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.267 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.28 -17.8 59.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.273 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.7 p30 -106.28 -21.06 13.21 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.36 13.37 1.9 Allowed Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.296 -0.954 . . . . 0.0 114.231 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.655 HG23 ' OD1' ' D' ' 37' ' ' ASN . 24.0 t -88.83 143.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 117.587 0.693 . . . . 0.0 110.601 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -158.0 -179.33 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.16 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 -144.98 17.34 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.18 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -148.27 155.27 41.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.41 . . . . 0.0 110.922 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.29 115.45 13.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.46 142.22 42.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.44 144.75 51.39 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.915 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.29 158.75 35.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.9 130.03 41.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.478 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.74 141.3 33.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.111 0.482 . . . . 0.0 112.07 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -138.52 156.67 47.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -126.2 123.48 38.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 111.334 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 30.8 m -107.87 134.22 51.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.473 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.47 116.35 20.47 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -90.81 122.5 33.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.281 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.27 155.55 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 0.0 111.111 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.1 m -149.71 -69.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.03 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.865 -179.838 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.812 0.339 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -88.06 123.41 32.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.554 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 39.1 m-85 -108.27 127.89 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.279 0.562 . . . . 0.0 111.823 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.65 125.44 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.688 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.19 127.27 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.575 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.2 mt -93.88 119.05 41.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.808 HD11 ' CE1' ' B' ' 34' ' ' PHE . 4.5 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' A' ' 25' ' ' THR . 28.3 t0 . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 121.319 0.58 . . . . 0.0 112.022 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.557 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -54.25 -41.2 68.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.133 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.13 -32.74 74.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.78 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.685 ' O ' HG23 ' A' ' 29' ' ' VAL . 22.3 m -62.9 -35.89 81.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.049 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.735 ' O ' HG23 ' A' ' 30' ' ' VAL . 27.6 t80 -65.14 -50.2 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.92 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.18 -50.53 70.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.176 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -67.27 -47.94 69.17 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.697 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 64.1 t -62.16 -40.46 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.0 t -69.73 -45.27 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 55.9 tttt -64.62 -45.59 86.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.641 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -64.07 -44.24 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.159 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.68 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.47 -47.25 70.63 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.786 ' CE1' HD11 ' B' ' 7' ' ' LEU . 36.8 m-85 -77.32 -32.03 54.97 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -53.76 -30.64 45.36 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.967 178.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.93 -18.47 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.639 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 34' ' ' PHE . 7.0 m-80 -101.54 -20.4 15.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.798 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.7 16.73 2.98 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.319 -0.943 . . . . 0.0 113.272 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 34' ' ' PHE . 31.9 t -88.38 143.35 11.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.92 0.36 . . . . 0.0 110.45 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -155.88 -178.95 7.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.988 0.423 . . . . 0.0 111.237 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.23 -144.86 18.26 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.316 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -148.91 156.31 42.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -72.34 122.5 21.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.6 p -114.79 138.61 50.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.593 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -71.46 142.21 50.21 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.641 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.19 159.24 35.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.83 135.16 53.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.75 140.7 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.686 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.85 156.41 48.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.765 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -120.31 146.43 46.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.995 0.426 . . . . 0.0 110.977 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -138.59 129.42 26.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.26 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -81.36 121.2 25.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.411 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -94.78 124.34 38.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.226 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 55' ' ' THR . 6.6 t -70.82 156.49 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 111.09 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.413 ' N ' HG12 ' A' ' 54' ' ' VAL . 61.9 m -149.3 -69.34 0.21 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.011 179.882 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.83 0.347 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -87.97 123.39 32.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.561 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.557 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 39.1 m-85 -108.26 127.87 54.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.132 0.491 . . . . 0.0 111.917 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.61 125.43 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.71 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.18 127.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.479 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 35.2 mt -93.96 118.9 40.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.901 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.786 HD11 ' CE1' ' A' ' 34' ' ' PHE . 4.5 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.979 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.447 ' O ' ' HB ' ' B' ' 25' ' ' THR . 28.1 t0 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 121.345 0.593 . . . . 0.0 111.996 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.554 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -54.19 -41.18 68.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.191 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.15 -32.64 74.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.69 ' O ' HG23 ' B' ' 29' ' ' VAL . 22.7 m -62.94 -35.85 81.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.034 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.732 ' O ' HG23 ' B' ' 30' ' ' VAL . 27.4 t80 -65.14 -50.25 66.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.96 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.29 -50.45 71.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.075 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -67.38 -47.91 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 25' ' ' THR . 63.9 t -62.08 -40.51 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 26' ' ' PHE . 62.1 t -69.69 -45.51 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.41 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 56.2 tttt -64.54 -45.48 86.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.923 0.392 . . . . 0.0 110.684 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -64.02 -44.28 93.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.697 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.8 t80 -67.42 -47.34 70.54 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.808 ' CE1' HD11 ' A' ' 7' ' ' LEU . 36.7 m-85 -77.3 -31.97 55.09 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -53.8 -30.61 45.66 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.985 178.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.02 -18.4 60.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.571 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' B' ' 34' ' ' PHE . 6.9 m-80 -101.52 -20.56 15.04 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.74 16.78 2.96 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.344 -0.931 . . . . 0.0 113.28 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' B' ' 34' ' ' PHE . 30.5 t -88.35 143.25 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.934 0.367 . . . . 0.0 110.567 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -155.82 -178.77 7.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.103 0.478 . . . . 0.0 111.224 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.03 -145.0 18.37 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.41 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -148.75 156.17 41.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.9 0.381 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.25 122.47 21.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -114.73 138.61 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.585 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -71.42 142.3 50.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.645 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.26 159.07 35.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.771 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.8 135.2 53.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.727 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.83 140.59 41.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.695 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.71 156.39 48.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.82 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -120.19 146.42 46.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.41 . . . . 0.0 111.061 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 16.6 m -138.56 129.36 26.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.265 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -81.35 121.19 25.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.412 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -94.62 124.33 38.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.234 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.421 HG12 ' N ' ' B' ' 55' ' ' THR . 6.7 t -70.87 156.53 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 111.093 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.421 ' N ' HG12 ' B' ' 54' ' ' VAL . 63.1 m -149.32 -69.53 0.21 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.009 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -88.01 123.42 32.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.566 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 39.2 m-85 -108.2 127.78 54.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.162 0.506 . . . . 0.0 111.902 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.62 125.35 50.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.679 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.16 127.38 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.479 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 35.1 mt -93.85 118.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.805 HD11 ' CE1' ' D' ' 34' ' ' PHE . 4.5 tp . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.849 0.357 . . . . 0.0 111.012 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.0 t0 . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 121.338 0.589 . . . . 0.0 111.81 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.562 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -54.33 -41.13 68.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.119 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.65 74.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.673 ' O ' HG23 ' C' ' 29' ' ' VAL . 22.6 m -62.86 -35.9 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.064 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.737 ' O ' HG23 ' C' ' 30' ' ' VAL . 27.5 t80 -65.12 -50.36 66.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.844 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.18 -50.51 71.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.131 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -67.32 -47.95 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.686 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 64.4 t -62.09 -40.48 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.737 HG23 ' O ' ' C' ' 26' ' ' PHE . 61.5 t -69.67 -45.46 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . 0.401 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 56.0 tttt -64.55 -45.62 86.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.97 -44.27 93.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.183 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.682 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.8 t80 -67.4 -47.3 70.7 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.807 ' CE1' HD11 ' D' ' 7' ' ' LEU . 37.0 m-85 -77.39 -31.9 54.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -53.76 -30.74 45.76 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.994 178.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.94 -18.45 60.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.605 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' C' ' 34' ' ' PHE . 6.9 m-80 -101.47 -20.54 15.07 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.73 16.73 2.97 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.279 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' C' ' 34' ' ' PHE . 30.6 t -88.26 143.3 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.902 0.351 . . . . 0.0 110.507 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -155.86 -178.8 7.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.065 0.459 . . . . 0.0 111.288 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.09 -145.01 18.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.348 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.74 156.19 42.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.26 122.51 21.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.189 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.6 p -114.77 138.57 50.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.529 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.38 142.24 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.611 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.25 159.26 34.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.05 135.29 53.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.674 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.88 140.71 41.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.796 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.83 156.37 48.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.752 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -120.1 146.5 45.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 111.089 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -138.63 129.37 26.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.208 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -81.35 121.26 25.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.454 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 92.4 m -94.84 124.3 38.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.31 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.417 HG12 ' N ' ' C' ' 55' ' ' THR . 6.6 t -70.72 156.46 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.92 0.391 . . . . 0.0 111.061 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.417 ' N ' HG12 ' C' ' 54' ' ' VAL . 62.5 m -149.27 -69.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.957 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -87.97 123.42 32.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.562 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 39.3 m-85 -108.34 127.78 54.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.296 0.57 . . . . 0.0 111.871 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.59 125.44 51.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.671 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.15 127.21 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.56 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 35.3 mt -93.85 119.03 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.807 HD11 ' CE1' ' C' ' 34' ' ' PHE . 4.5 tp . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.974 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' D' ' 25' ' ' THR . 27.8 t0 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 121.291 0.567 . . . . 0.0 111.787 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.566 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -54.26 -41.1 68.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.125 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.14 -32.77 74.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.048 0.452 . . . . 0.0 110.91 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.673 ' O ' HG23 ' D' ' 29' ' ' VAL . 22.6 m -62.82 -35.87 81.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.03 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.753 ' O ' HG23 ' D' ' 30' ' ' VAL . 27.7 t80 -65.18 -50.27 66.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.864 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -56.31 -50.4 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.844 -0.617 . . . . 0.0 112.118 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -67.28 -48.1 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.682 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 64.5 t -62.11 -40.34 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.753 HG23 ' O ' ' D' ' 26' ' ' PHE . 62.1 t -69.84 -45.37 77.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 56.5 tttt -64.52 -45.66 86.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.972 0.415 . . . . 0.0 110.569 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.98 -44.28 93.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.162 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.686 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.8 t80 -67.39 -47.29 70.77 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.805 ' CE1' HD11 ' C' ' 7' ' ' LEU . 36.9 m-85 -77.35 -31.94 54.77 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 0.9 OUTLIER -53.85 -30.7 46.69 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.941 178.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.96 -18.34 60.06 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.656 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.43 ' ND2' ' HA ' ' D' ' 34' ' ' PHE . 6.9 m-80 -101.62 -20.4 15.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.784 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.63 16.8 2.99 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.299 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.422 HG21 ' HB3' ' D' ' 34' ' ' PHE . 32.4 t -88.43 143.32 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.933 0.367 . . . . 0.0 110.527 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -155.85 -178.85 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.015 0.436 . . . . 0.0 111.334 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.09 -144.91 18.32 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.401 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -148.85 156.22 42.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -72.29 122.53 21.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.6 p -114.78 138.61 50.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -71.42 142.2 50.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.639 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.25 159.23 34.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.9 135.31 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.736 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.96 140.74 42.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.765 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 8.9 m -133.86 156.32 48.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.756 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -120.1 146.4 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -138.54 129.39 26.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.28 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.3 121.23 25.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.507 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.0 m -94.68 124.39 38.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.331 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.417 HG12 ' N ' ' D' ' 55' ' ' THR . 6.7 t -70.88 156.51 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.387 . . . . 0.0 111.003 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.417 ' N ' HG12 ' D' ' 54' ' ' VAL . 62.2 m -149.33 -69.38 0.21 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.974 179.824 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -88.07 123.09 32.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.212 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.425 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.2 m-85 -108.87 130.16 55.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.325 0.583 . . . . 0.0 112.143 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -106.57 129.12 54.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 7' ' ' LEU . 14.1 t -142.38 127.4 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -95.16 123.57 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.234 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.762 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.261 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 25' ' ' THR . 36.1 t70 . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.74 -43.06 57.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.176 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.68 -28.79 67.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.293 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.8 m -62.56 -38.5 90.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.764 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 30' ' ' VAL . 16.5 t80 -68.85 -45.27 71.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.673 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 1.5 tt0 -56.21 -55.53 32.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.202 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -67.14 -48.53 67.77 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.641 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 58.4 t -63.29 -42.5 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 26' ' ' PHE . 59.5 t -70.74 -45.73 72.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -63.55 -45.73 89.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 110.619 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -63.13 -45.53 91.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.9 t80 -67.65 -46.41 72.52 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.742 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 36.6 m-85 -75.85 -34.79 60.07 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.17 -32.07 54.46 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.98 0.419 . . . . 0.0 111.119 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -61.62 -17.72 56.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.036 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.63 ' OD1' HG23 ' A' ' 39' ' ' VAL . 16.5 p30 -105.76 -21.41 13.18 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.47 13.34 1.89 Allowed Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.116 -1.04 . . . . 0.0 114.232 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.63 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.0 t -89.69 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.46 0.63 . . . . 0.0 110.907 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -158.46 -177.37 6.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.389 . . . . 0.0 111.271 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.03 -145.15 18.4 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.303 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -147.46 154.69 41.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.951 0.405 . . . . 0.0 111.094 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 95.2 m95 -73.17 117.94 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.31 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.1 p -110.64 141.66 43.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.348 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.09 143.22 52.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.48 160.26 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -66.38 126.06 27.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 144.84 28.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.867 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -140.01 156.36 46.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.45 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -124.58 119.01 27.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.03 0.443 . . . . 0.0 111.307 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.5 m -104.06 132.56 50.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.18 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.35 114.73 20.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.231 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.4 m -86.88 123.16 31.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.466 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.2 155.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 111.073 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 m -149.49 -69.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.888 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.854 0.359 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.24 123.17 32.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.094 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -109.15 130.22 55.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.29 0.567 . . . . 0.0 112.049 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -106.61 129.38 54.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.546 HG12 HD12 ' B' ' 7' ' ' LEU . 14.3 t -142.3 127.26 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 28.8 mt -95.12 123.15 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.314 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.742 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.2 mp . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' B' ' 25' ' ' THR . 36.2 t70 . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.314 0.578 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.31 -43.01 53.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.233 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.77 -28.87 67.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.352 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.58 ' O ' HG23 ' B' ' 29' ' ' VAL . 91.2 m -62.37 -38.78 90.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.796 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.608 ' O ' HG23 ' B' ' 30' ' ' VAL . 16.8 t80 -68.62 -45.23 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.7 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 1.5 tt0 -56.31 -55.28 35.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.217 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.3 -48.5 67.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.633 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 58.5 t -63.32 -42.67 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 26' ' ' PHE . 59.1 t -70.59 -45.95 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -63.37 -45.63 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.684 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.21 -45.54 91.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.224 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.641 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.0 t80 -67.63 -46.38 72.65 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.762 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 36.7 m-85 -75.83 -34.84 60.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -31.96 53.99 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.96 0.409 . . . . 0.0 111.185 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -61.79 -17.62 56.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.053 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.634 ' OD1' HG23 ' B' ' 39' ' ' VAL . 16.4 p30 -105.72 -21.35 13.2 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.4 13.38 1.89 Allowed Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.063 -1.065 . . . . 0.0 114.246 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.634 HG23 ' OD1' ' B' ' 37' ' ' ASN . 22.3 t -89.82 143.37 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 117.437 0.619 . . . . 0.0 110.886 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -158.47 -177.04 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 111.25 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.75 -145.17 18.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.44 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -147.33 154.77 41.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.432 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 95.0 m95 -73.45 118.04 15.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.351 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 64.6 p -110.74 141.74 43.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.264 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.16 143.4 52.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.72 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.69 160.09 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.012 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -66.35 126.08 27.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.3 145.22 27.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.918 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 22.3 m -140.18 156.46 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.523 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -124.61 119.07 27.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.033 0.444 . . . . 0.0 111.339 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 31.7 m -104.01 132.46 50.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.169 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -81.25 114.76 20.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.224 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.0 m -86.83 123.01 31.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.43 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.2 155.63 7.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.882 0.373 . . . . 0.0 111.106 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 m -149.34 -69.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.004 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.23 123.19 32.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.183 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.436 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.1 m-85 -108.99 130.23 55.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.366 0.603 . . . . 0.0 112.029 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -106.57 129.02 54.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.541 HG12 HD12 ' C' ' 7' ' ' LEU . 14.3 t -142.25 127.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 mt -95.06 123.4 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.303 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.76 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.2 mp . . . . . 0 C--N 1.331 -0.236 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.432 ' O ' ' HB ' ' C' ' 25' ' ' THR . 35.9 t70 . . . . . 0 CA--C 1.519 -0.245 0 CA-C-O 121.431 0.634 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.97 52.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.249 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.85 67.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.345 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.601 ' O ' HG23 ' C' ' 29' ' ' VAL . 86.5 m -62.49 -38.72 90.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.6 ' O ' HG23 ' C' ' 30' ' ' VAL . 16.5 t80 -68.66 -45.35 71.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.637 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 1.5 tt0 -56.11 -55.47 32.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.233 -179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.37 -48.38 67.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 56.9 t -63.22 -42.7 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.6 HG23 ' O ' ' C' ' 26' ' ' PHE . 60.4 t -70.7 -45.73 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -63.47 -45.66 89.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 0.0 110.682 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -63.16 -45.66 90.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.636 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.9 t80 -67.59 -46.31 72.99 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.741 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 36.5 m-85 -75.84 -34.77 60.1 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -32.05 54.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.944 0.402 . . . . 0.0 111.162 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -61.76 -17.64 56.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.059 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.642 ' OD1' HG23 ' C' ' 39' ' ' VAL . 16.4 p30 -105.7 -21.69 13.13 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.72 13.25 1.85 Allowed Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.113 -1.041 . . . . 0.0 114.215 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.0 t -89.55 143.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 117.496 0.648 . . . . 0.0 110.95 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -158.43 -177.42 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.11 -145.14 18.37 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.303 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -147.28 154.86 41.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.4 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . 0.432 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 95.0 m95 -73.37 117.96 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 63.3 p -110.66 141.58 43.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.333 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.11 143.41 52.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.826 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.82 160.07 33.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.014 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.32 126.02 27.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 145.05 27.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.96 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 19.8 m -140.15 156.47 46.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.392 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -124.61 119.06 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.079 0.466 . . . . 0.0 111.376 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 31.5 m -104.12 132.55 50.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.169 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -81.26 114.76 20.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.194 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -86.87 123.08 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.483 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.08 155.69 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.1 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 68.1 m -149.46 -69.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.929 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.896 0.379 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.37 123.17 32.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.299 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.3 m-85 -109.06 130.08 55.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.349 0.595 . . . . 0.0 112.034 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -106.53 129.2 54.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.817 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.542 HG12 HD12 ' D' ' 7' ' ' LEU . 13.8 t -142.31 127.23 16.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 28.8 mt -95.14 123.51 47.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.349 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.741 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.2 mp . . . . . 0 C--N 1.331 -0.225 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' D' ' 25' ' ' THR . 35.7 t70 . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 121.408 0.623 . . . . 0.0 111.872 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.66 -43.1 57.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.22 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.66 -28.82 68.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.344 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' D' ' 29' ' ' VAL . 87.2 m -62.52 -38.48 90.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.787 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.616 ' O ' HG23 ' D' ' 30' ' ' VAL . 16.8 t80 -68.81 -45.21 71.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.705 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 1.5 tt0 -56.38 -55.39 34.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.234 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -67.11 -48.58 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.636 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 57.8 t -63.3 -42.45 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.616 HG23 ' O ' ' D' ' 26' ' ' PHE . 60.3 t -70.75 -45.84 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 32.6 tttt -63.33 -45.75 89.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.961 0.41 . . . . 0.0 110.642 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -63.12 -45.78 90.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.114 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.0 t80 -67.52 -46.31 73.2 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.76 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 36.6 m-85 -75.86 -34.91 60.05 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -31.94 53.93 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.042 0.449 . . . . 0.0 111.193 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -61.74 -17.64 56.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.051 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.642 ' OD1' HG23 ' D' ' 39' ' ' VAL . 16.3 p30 -105.79 -21.43 13.17 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.43 13.37 1.89 Allowed Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.042 -1.075 . . . . 0.0 114.187 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' D' ' 37' ' ' ASN . 23.5 t -89.88 143.35 11.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 117.52 0.66 . . . . 0.0 110.824 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -158.33 -177.37 6.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.895 0.378 . . . . 0.0 111.246 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.07 -145.2 18.39 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.374 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -147.39 154.62 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.384 . . . . 0.0 111.031 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 95.2 m95 -73.18 118.11 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.353 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -110.79 141.64 43.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.317 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.13 143.21 52.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.51 160.39 32.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.066 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.56 125.98 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.752 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.05 144.72 27.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.061 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 19.4 m -139.89 156.32 46.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.368 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -124.62 118.88 27.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.047 0.451 . . . . 0.0 111.363 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 31.8 m -103.96 132.68 49.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.12 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -81.34 114.76 20.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.185 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 90.5 m -86.83 123.07 31.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.44 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.28 155.75 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 111.113 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.6 m -149.51 -69.38 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.931 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.799 0.333 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.87 122.59 33.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 38.3 m-85 -108.24 133.45 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.303 0.573 . . . . 0.0 112.18 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -106.56 131.47 53.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.805 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 7' ' ' LEU . 21.0 t -142.54 127.4 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -99.93 118.1 46.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.512 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.243 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 24.7 t70 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.392 0.615 . . . . 0.0 111.801 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.8 -43.38 65.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.236 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.6 -30.94 70.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.08 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 29' ' ' VAL . 75.9 m -63.03 -39.18 93.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.0 t80 -66.17 -46.1 78.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.849 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.05 -53.92 51.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.123 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -67.82 -49.06 64.33 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 61.5 t -64.08 -44.84 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 26' ' ' PHE . 56.8 t -69.34 -46.78 76.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -63.43 -45.28 91.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.911 0.386 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -64.73 -42.66 95.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.739 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.1 t80 -67.89 -47.6 68.37 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.545 ' HB3' HG21 ' A' ' 39' ' ' VAL . 30.3 m-85 -77.32 -32.83 55.55 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -29.08 38.31 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.928 0.394 . . . . 0.0 111.189 178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.21 -17.09 51.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.875 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.519 ' OD1' HG23 ' A' ' 39' ' ' VAL . 12.0 p30 -104.16 -14.93 15.68 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.26 17.25 3.02 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.557 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 34' ' ' PHE . 21.9 t -88.9 143.66 10.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 117.129 0.464 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -155.66 -178.98 7.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.016 0.436 . . . . 0.0 111.077 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.52 -143.42 18.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -150.78 157.93 43.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.022 0.439 . . . . 0.0 111.237 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -73.03 121.87 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.393 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.8 p -113.23 140.1 48.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.726 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.79 146.14 49.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.611 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.22 157.44 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 110.813 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.62 132.36 48.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.27 141.7 40.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.464 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.0 m -138.71 156.7 47.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.552 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -115.14 148.01 39.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.001 0.429 . . . . 0.0 111.18 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -141.49 128.69 20.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.939 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -81.42 117.97 22.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.489 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -95.5 126.15 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.255 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.37 155.34 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.915 0.388 . . . . 0.0 111.224 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.868 HG22 ' HG2' ' A' ' 56' ' ' GLU . 55.9 m -143.08 -75.79 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.357 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.868 ' HG2' HG22 ' A' ' 55' ' ' THR . 7.3 pt-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.904 0.383 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.72 122.41 32.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.468 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 38.1 m-85 -108.17 133.39 52.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.327 0.584 . . . . 0.0 112.267 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -106.41 131.49 53.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.827 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.496 HG12 HD12 ' B' ' 7' ' ' LEU . 21.3 t -142.58 127.2 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 mt -99.51 117.87 45.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 111.515 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.331 -0.228 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' B' ' 25' ' ' THR . 27.0 t70 . . . . . 0 CA--C 1.517 -0.307 0 CA-C-O 121.29 0.567 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.66 -42.94 65.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.197 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.99 -30.94 70.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.515 ' O ' HG23 ' B' ' 29' ' ' VAL . 74.9 m -63.12 -38.91 93.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.565 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.1 t80 -66.22 -46.11 78.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.824 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.11 -54.0 50.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.113 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -67.76 -49.11 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.572 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 61.8 t -64.1 -44.65 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 26' ' ' PHE . 56.1 t -69.5 -46.59 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -63.48 -45.43 90.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 110.798 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.66 -42.6 95.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.736 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.1 t80 -68.03 -47.41 68.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.565 ' HB3' HG21 ' B' ' 39' ' ' VAL . 30.5 m-85 -77.48 -32.49 54.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -29.1 41.55 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.191 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -61.37 -17.05 52.15 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.829 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.503 ' OD1' HG23 ' B' ' 39' ' ' VAL . 11.2 p30 -104.28 -14.7 15.7 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.94 17.47 3.07 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.487 -0.863 . . . . 0.0 113.597 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' B' ' 34' ' ' PHE . 21.8 t -89.12 143.68 10.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.153 0.476 . . . . 0.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.72 -178.78 7.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.28 -143.68 18.06 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.505 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -150.58 157.88 43.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.402 . . . . 0.0 111.211 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -72.9 121.94 20.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.351 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 45.8 p -113.23 140.05 48.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.739 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.84 146.32 49.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.585 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.3 157.4 37.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.68 132.44 48.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 141.71 41.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.66 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -138.66 156.64 47.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.568 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -114.97 148.01 39.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.075 0.464 . . . . 0.0 111.169 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.59 128.73 20.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -81.47 118.44 22.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.48 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 89.3 m -96.04 126.01 40.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.155 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.11 155.31 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.355 . . . . 0.0 111.269 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.868 HG22 ' HG2' ' B' ' 56' ' ' GLU . 56.4 m -143.0 -76.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.393 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.868 ' HG2' HG22 ' B' ' 55' ' ' THR . 7.2 pt-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.739 0.304 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -89.74 122.53 32.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.745 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.471 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 37.9 m-85 -108.26 133.32 52.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.289 0.566 . . . . 0.0 112.206 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -106.45 131.6 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.82 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.505 HG12 HD12 ' C' ' 7' ' ' LEU . 20.8 t -142.58 127.33 16.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.007 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.68 118.34 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.471 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.249 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.412 ' O ' ' HB ' ' C' ' 25' ' ' THR . 25.6 t70 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 121.454 0.645 . . . . 0.0 111.673 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.83 -43.33 65.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.263 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.61 -30.95 70.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.509 ' O ' HG23 ' C' ' 29' ' ' VAL . 73.7 m -63.04 -39.07 93.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.742 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.569 ' O ' HG23 ' C' ' 30' ' ' VAL . 18.8 t80 -66.2 -45.99 78.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.859 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.2 -53.85 52.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.154 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -67.85 -48.88 64.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.573 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 61.5 t -64.29 -44.69 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.569 HG23 ' O ' ' C' ' 26' ' ' PHE . 53.1 t -69.48 -46.48 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -63.76 -45.21 90.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.903 0.382 . . . . 0.0 110.683 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.781 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.1 t80 -67.82 -47.53 68.81 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.546 ' HB3' HG21 ' C' ' 39' ' ' VAL . 30.3 m-85 -77.4 -32.59 54.91 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.94 -29.15 41.16 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.872 0.368 . . . . 0.0 111.119 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -61.34 -17.08 52.15 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.932 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.496 ' OD1' HG23 ' C' ' 39' ' ' VAL . 11.2 p30 -104.2 -14.77 15.72 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.06 17.41 3.05 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.459 -0.877 . . . . 0.0 113.585 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' C' ' 34' ' ' PHE . 21.8 t -89.01 143.55 10.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 117.121 0.461 . . . . 0.0 111.015 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.46 -179.02 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 0.0 111.201 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.53 -143.55 18.07 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -150.5 158.11 43.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 111.361 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -73.23 122.04 21.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.353 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 47.4 p -113.59 140.17 48.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.76 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.75 146.25 49.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.693 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.27 157.48 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.68 132.21 47.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.05 141.7 39.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.497 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -138.66 156.59 47.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.703 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -115.13 147.63 40.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.016 0.436 . . . . 0.0 111.189 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.47 128.71 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.985 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -81.34 118.19 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.512 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -95.69 126.08 40.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.313 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.32 155.35 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.225 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.856 HG22 ' HG2' ' C' ' 56' ' ' GLU . 56.4 m -142.96 -75.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.358 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . 0.856 ' HG2' HG22 ' C' ' 55' ' ' THR . 7.3 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.856 0.36 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -89.82 122.61 33.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.674 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.469 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 38.3 m-85 -108.24 133.41 52.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.242 0.544 . . . . 0.0 112.232 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -106.55 131.38 53.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.865 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.508 HG12 HD12 ' D' ' 7' ' ' LEU . 21.2 t -142.53 127.16 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.52 118.19 45.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.518 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.508 HD12 HG12 ' D' ' 5' ' ' VAL . 1.1 mp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.048 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.254 0.55 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.72 -43.05 65.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -30.96 70.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.509 ' O ' HG23 ' D' ' 29' ' ' VAL . 74.8 m -63.07 -38.89 92.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.686 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.579 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.1 t80 -66.33 -46.11 77.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.8 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.96 -54.04 49.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.165 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -67.89 -48.99 64.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.575 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 61.4 t -64.04 -44.75 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.579 HG23 ' O ' ' D' ' 26' ' ' PHE . 54.2 t -69.46 -46.69 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -63.43 -45.34 91.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.768 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.78 -42.65 94.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.723 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.573 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.1 t80 -67.78 -47.56 68.83 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.547 ' HB3' HG21 ' D' ' 39' ' ' VAL . 30.2 m-85 -77.45 -32.86 54.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -29.23 38.05 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.938 0.399 . . . . 0.0 111.142 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.31 -16.96 51.19 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.927 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.51 ' OD1' HG23 ' D' ' 39' ' ' VAL . 11.2 p30 -104.2 -14.91 15.67 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.01 17.6 3.03 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.491 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' D' ' 34' ' ' PHE . 21.8 t -89.27 143.69 10.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 117.207 0.503 . . . . 0.0 110.968 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.6 -178.71 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.189 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.27 -143.49 18.0 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.539 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -150.79 157.99 43.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.403 . . . . 0.0 111.201 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -72.92 121.68 20.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -113.04 140.11 48.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.756 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.92 146.27 49.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.574 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.28 157.44 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.71 132.47 48.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.43 141.82 40.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.525 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 27.5 m -138.5 156.64 47.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.572 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -115.01 147.87 39.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 0.0 111.174 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 16.6 m -141.53 128.77 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -81.61 118.4 22.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.402 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -95.91 126.13 40.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.191 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.26 155.44 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.218 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.845 HG22 ' HG2' ' D' ' 56' ' ' GLU . 57.6 m -143.18 -76.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.279 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . 0.845 ' HG2' HG22 ' D' ' 55' ' ' THR . 7.2 pt-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.912 0.386 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -89.99 124.25 34.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.713 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.456 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 38.8 m-85 -109.2 128.71 55.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.377 0.608 . . . . 0.0 111.776 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -106.53 128.07 53.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 t -142.35 124.35 13.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 mt -96.61 117.28 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.4 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.189 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.0 t70 . . . . . 0 CA--C 1.522 -0.117 0 CA-C-O 121.244 0.545 . . . . 0.0 111.388 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.54 -44.55 56.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.428 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.81 -31.81 72.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.214 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.6 m -63.62 -40.76 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.738 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.778 ' O ' HG23 ' A' ' 30' ' ' VAL . 31.8 t80 -64.87 -46.93 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.806 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 45.9 mt-10 -57.56 -48.64 78.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.604 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -67.87 -45.44 74.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 25' ' ' THR . 63.5 t -63.14 -42.32 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 26' ' ' PHE . 39.9 t -70.28 -44.86 77.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -63.96 -46.19 85.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 110.766 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -65.2 -42.49 93.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.487 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.529 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.74 -48.1 67.4 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.451 ' HB3' HG21 ' A' ' 39' ' ' VAL . 34.6 m-85 -77.2 -30.6 54.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.87 -30.23 57.33 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.955 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -62.02 -18.39 60.4 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.635 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 34' ' ' PHE . 6.2 m-80 -101.82 -19.16 15.43 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.702 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 16.34 3.04 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.191 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 34' ' ' PHE . 38.7 t -88.57 143.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.911 0.356 . . . . 0.0 110.559 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -153.09 -175.99 5.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 111.213 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.97 -145.09 18.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.435 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -151.07 158.37 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 83.9 m95 -72.78 118.78 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.234 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.425 HG21 ' OG1' ' C' ' 53' ' ' THR . 57.5 p -112.75 139.54 48.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.537 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -70.81 143.61 51.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.2 157.96 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.21 132.52 48.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.721 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.82 140.56 36.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.927 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -136.22 156.43 48.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.679 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -126.17 122.83 36.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.937 0.399 . . . . 0.0 111.391 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.8 m -108.43 132.95 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.305 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -80.25 118.17 21.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.69 0.281 . . . . 0.0 111.344 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.43 ' OG1' HG21 ' C' ' 44' ' ' THR . 92.1 m -92.12 119.44 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.273 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.91 155.81 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 111.049 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.578 HG22 ' HG2' ' A' ' 56' ' ' GLU . 88.0 m -147.32 -84.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.578 ' HG2' HG22 ' A' ' 55' ' ' THR . 3.7 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.118 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.023 0.439 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -90.2 124.24 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.459 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 38.9 m-85 -108.96 128.69 55.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.353 0.597 . . . . 0.0 111.905 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -106.56 128.02 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -142.41 124.28 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 21.9 mt -96.66 117.35 40.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.569 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.244 179.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' B' ' 25' ' ' THR . 13.0 t70 . . . . . 0 N--CA 1.462 0.132 0 CA-C-O 121.355 0.598 . . . . 0.0 112.055 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.456 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.64 -44.89 57.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.56 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.87 72.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.87 0.367 . . . . 0.0 111.244 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.738 ' O ' HG23 ' B' ' 29' ' ' VAL . 18.4 m -63.62 -40.82 97.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.637 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.775 ' O ' HG23 ' B' ' 30' ' ' VAL . 31.8 t80 -64.77 -46.9 80.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.52 -48.77 78.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.658 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -67.72 -45.55 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 25' ' ' THR . 63.0 t -63.05 -42.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.775 HG23 ' O ' ' B' ' 26' ' ' PHE . 40.3 t -70.22 -44.88 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 11.9 tmtt? -63.93 -46.1 86.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.003 0.43 . . . . 0.0 110.798 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.2 -42.61 93.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.474 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.521 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.7 t80 -67.63 -48.23 67.35 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.467 ' HB3' HG21 ' B' ' 39' ' ' VAL . 34.6 m-85 -77.1 -30.75 55.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -54.84 -30.28 57.21 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.975 178.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -61.93 -18.41 60.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.739 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.419 ' ND2' ' HA ' ' B' ' 34' ' ' PHE . 6.0 m-80 -101.82 -19.35 15.36 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.04 16.25 2.97 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.23 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' B' ' 34' ' ' PHE . 38.3 t -88.56 143.03 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.873 0.336 . . . . 0.0 110.524 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -153.13 -176.16 5.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.93 0.395 . . . . 0.0 111.203 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.12 -145.16 18.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.38 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -151.04 158.54 44.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -72.93 118.7 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.082 0.467 . . . . 0.0 111.219 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.419 HG21 ' OG1' ' D' ' 53' ' ' THR . 61.6 p -112.75 139.67 48.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.416 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.88 143.58 50.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.87 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.22 157.91 36.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.752 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -66.16 132.57 48.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.752 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.91 140.75 36.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.962 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -136.83 156.57 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.487 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -126.0 123.44 38.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 0.0 111.338 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -108.81 132.97 53.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.257 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -80.43 118.24 21.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.314 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.405 ' OG1' HG21 ' D' ' 44' ' ' THR . 88.7 m -92.17 119.4 31.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.366 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.78 155.77 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.581 HG22 ' HG2' ' B' ' 56' ' ' GLU . 89.6 m -147.32 -84.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.581 ' HG2' HG22 ' B' ' 55' ' ' THR . 3.7 pt-20 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -90.04 124.3 34.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.672 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.461 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 39.0 m-85 -109.21 128.81 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.398 0.618 . . . . 0.0 111.821 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -106.57 128.03 53.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.971 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 t -142.36 124.46 13.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 21.8 mt -96.71 117.24 40.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.505 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.083 179.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.1 t70 . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 121.413 0.625 . . . . 0.0 112.039 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.457 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -50.87 -44.95 59.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.578 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 -31.96 73.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 111.224 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.76 ' O ' HG23 ' C' ' 29' ' ' VAL . 18.1 m -63.77 -40.63 97.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.711 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.776 ' O ' HG23 ' C' ' 30' ' ' VAL . 31.8 t80 -64.78 -46.84 80.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.402 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 45.6 mt-10 -57.55 -48.62 78.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.684 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -67.74 -45.53 74.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.76 HG23 ' O ' ' C' ' 25' ' ' THR . 63.0 t -63.12 -42.41 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.776 HG23 ' O ' ' C' ' 26' ' ' PHE . 40.3 t -70.24 -44.99 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 12.0 tmtt? -63.79 -46.13 86.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.999 0.428 . . . . 0.0 110.781 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -65.24 -42.58 93.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.541 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.557 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.7 t80 -67.57 -48.35 67.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.447 ' HB3' HG21 ' C' ' 39' ' ' VAL . 34.5 m-85 -76.94 -30.67 56.17 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -54.87 -30.25 57.48 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.962 178.601 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -61.96 -18.43 60.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.728 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' C' ' 34' ' ' PHE . 6.2 m-80 -101.7 -19.3 15.45 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.748 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.86 16.42 2.99 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.286 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' C' ' 34' ' ' PHE . 39.2 t -88.67 143.06 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.912 0.356 . . . . 0.0 110.51 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -153.09 -176.31 5.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 111.278 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.21 -145.08 18.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -151.14 158.57 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 111.005 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . 0.402 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 83.7 m95 -72.97 118.7 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.286 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . 0.43 HG21 ' OG1' ' A' ' 53' ' ' THR . 60.5 p -112.79 139.65 48.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.525 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.83 143.57 51.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.872 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.23 157.9 36.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -66.29 132.67 48.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.799 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 140.64 36.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.009 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 20.3 m -136.41 156.51 48.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.623 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -126.28 122.74 36.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.051 0.453 . . . . 0.0 111.288 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 23.1 m -108.23 132.9 53.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.174 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -80.3 117.76 21.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.803 0.335 . . . . 0.0 111.331 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . 0.425 ' OG1' HG21 ' A' ' 44' ' ' THR . 91.1 m -91.64 119.38 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.387 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.87 155.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.041 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.601 HG22 ' HG2' ' C' ' 56' ' ' GLU . 89.5 m -147.37 -84.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . 0.601 ' HG2' HG22 ' C' ' 55' ' ' THR . 3.8 pt-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.026 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.797 0.332 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -90.01 124.21 34.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.736 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.457 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 39.0 m-85 -109.05 128.78 55.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.285 0.565 . . . . 0.0 111.864 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -106.66 127.99 53.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 t -142.35 124.07 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 mt -96.4 117.14 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.479 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' D' ' 25' ' ' THR . 12.9 t70 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 121.277 0.561 . . . . 0.0 111.304 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -50.51 -44.68 56.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.476 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -32.02 73.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.205 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.75 ' O ' HG23 ' D' ' 29' ' ' VAL . 18.3 m -63.64 -40.6 97.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.789 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.78 ' O ' HG23 ' D' ' 30' ' ' VAL . 32.0 t80 -64.89 -46.89 79.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.833 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 45.7 mt-10 -57.52 -48.64 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.695 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -67.85 -45.48 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.75 HG23 ' O ' ' D' ' 25' ' ' THR . 62.3 t -63.0 -42.4 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.78 HG23 ' O ' ' D' ' 26' ' ' PHE . 40.0 t -70.35 -44.83 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.387 . . . . 0.0 112.029 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -63.97 -46.19 85.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.942 0.401 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -65.1 -42.54 93.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.549 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.7 t80 -67.86 -48.16 66.91 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' D' ' 39' ' ' VAL . 34.5 m-85 -77.06 -30.55 55.61 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -30.24 59.12 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.951 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -61.93 -18.49 60.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.691 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' D' ' 34' ' ' PHE . 6.0 m-80 -101.73 -19.34 15.42 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.93 16.29 3.0 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.265 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' D' ' 34' ' ' PHE . 38.3 t -88.48 143.11 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.922 0.361 . . . . 0.0 110.593 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -153.28 -176.18 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.986 0.422 . . . . 0.0 111.173 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.1 -145.0 18.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.384 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -151.1 158.54 44.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 111.001 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 83.8 m95 -72.85 118.66 16.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.057 0.456 . . . . 0.0 111.255 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . 0.405 HG21 ' OG1' ' B' ' 53' ' ' THR . 62.3 p -112.71 139.64 48.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.432 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.78 143.62 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.85 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 157.86 36.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.22 132.72 49.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.587 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.81 140.47 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.112 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 19.5 m -135.77 156.29 49.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.651 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -125.97 122.68 36.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.962 0.411 . . . . 0.0 111.19 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -108.46 132.84 53.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.247 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -80.27 117.92 21.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.771 0.32 . . . . 0.0 111.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . 0.419 ' OG1' HG21 ' B' ' 44' ' ' THR . 90.8 m -91.73 119.4 31.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.396 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.402 HG12 ' N ' ' D' ' 55' ' ' THR . 5.6 t -70.88 155.99 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.729 0.3 . . . . 0.0 110.995 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.595 HG22 ' HG2' ' D' ' 56' ' ' GLU . 88.4 m -147.52 -84.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . 0.595 ' HG2' HG22 ' D' ' 55' ' ' THR . 3.7 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.74 0.305 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -90.69 126.69 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.472 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.548 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 37.7 m-85 -109.3 126.25 53.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.377 0.608 . . . . 0.0 112.254 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -106.48 122.18 45.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.482 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.16 128.86 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 111.772 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -92.69 119.73 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.014 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.753 HD11 ' CE1' ' B' ' 34' ' ' PHE . 3.9 tp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.448 ' O ' ' HB ' ' A' ' 25' ' ' THR . 20.0 t70 . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.275 0.56 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.533 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.97 -43.47 66.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.206 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.84 -32.63 74.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.773 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' HG23 ' A' ' 29' ' ' VAL . 39.3 m -63.52 -37.87 88.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.243 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 30' ' ' VAL . 30.4 t80 -64.11 -50.36 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.915 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -56.87 -49.25 76.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.805 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.38 -50.81 62.23 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.413 0.524 . . . . 0.0 112.413 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.574 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 66.1 t -64.27 -43.56 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.7 t -69.84 -45.6 76.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.153 -178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 74.5 tttt -64.88 -45.36 86.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.047 0.451 . . . . 0.0 110.635 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.92 -42.74 94.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.589 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 5.3 t80 -67.36 -47.27 70.91 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' B' ' 7' ' ' LEU . 30.3 m-85 -77.48 -29.97 52.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -55.0 -29.4 57.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.123 0.487 . . . . 0.0 110.919 179.318 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -60.72 -17.9 51.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.846 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.593 ' OD1' HG23 ' A' ' 39' ' ' VAL . 13.2 p30 -103.56 -17.8 15.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.49 15.8 2.39 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.201 -1.0 . . . . 0.0 113.612 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.593 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.5 t -89.44 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.029 0.414 . . . . 0.0 111.014 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -156.7 -179.47 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.92 -144.54 17.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.248 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -148.84 156.23 42.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -73.04 118.54 16.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.5 p -110.98 140.52 45.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.423 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.74 143.01 51.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.722 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.406 ' HB2' ' HB ' ' C' ' 49' ' ' THR . 1.0 OUTLIER -71.85 158.67 35.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.75 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.15 130.35 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.709 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.79 142.77 33.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.874 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.1 m -137.57 156.36 48.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.367 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -125.1 120.54 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.007 0.432 . . . . 0.0 111.382 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -106.62 132.94 52.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.298 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.9 118.49 22.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.367 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -92.93 123.1 35.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.448 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.32 155.79 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.923 0.392 . . . . 0.0 111.158 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -148.97 -69.03 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.921 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.738 0.304 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.68 126.61 36.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.562 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.533 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.6 m-85 -109.29 126.23 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.364 0.602 . . . . 0.0 112.246 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.49 122.15 45.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.42 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.18 128.88 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.032 0.444 . . . . 0.0 111.742 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.1 mt -92.69 119.87 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.995 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.747 HD11 ' CE1' ' A' ' 34' ' ' PHE . 3.9 tp . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' B' ' 25' ' ' THR . 19.7 t70 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 121.338 0.59 . . . . 0.0 111.903 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -53.29 -43.63 67.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.211 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.59 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.766 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.515 ' O ' HG23 ' B' ' 29' ' ' VAL . 39.1 m -63.54 -37.8 88.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.215 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.637 ' O ' HG23 ' B' ' 30' ' ' VAL . 30.6 t80 -64.27 -50.37 68.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.876 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -56.8 -49.23 75.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.83 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.4 -50.77 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.573 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 66.2 t -64.32 -43.6 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.5 t -69.79 -45.62 76.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.173 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.434 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 74.4 tttt -64.94 -45.29 86.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 0.0 110.615 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.99 -42.67 94.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.609 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.574 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.4 t80 -67.44 -47.24 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.753 ' CE1' HD11 ' A' ' 7' ' ' LEU . 30.6 m-85 -77.56 -29.91 52.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 1.0 OUTLIER -54.98 -29.36 56.82 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.071 0.462 . . . . 0.0 110.899 179.266 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -60.78 -17.9 51.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.837 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.59 ' OD1' HG23 ' B' ' 39' ' ' VAL . 13.1 p30 -103.57 -17.81 15.02 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.48 15.71 2.41 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.531 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.59 HG23 ' OD1' ' B' ' 37' ' ' ASN . 22.4 t -89.33 143.09 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 117.168 0.484 . . . . 0.0 111.015 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -156.76 -179.73 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.251 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.26 -144.43 17.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.28 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -148.95 156.2 41.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -72.99 118.53 16.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -110.92 140.4 45.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.444 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.62 142.87 51.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.76 158.72 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.08 130.09 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.31 142.43 31.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.714 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' D' ' 46' ' ' ASP . 26.7 m -137.41 156.29 48.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.356 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -125.14 120.57 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 111.397 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.64 133.07 51.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.347 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -81.1 118.5 22.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 90.0 m -92.88 123.23 35.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.41 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.41 155.89 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.97 0.414 . . . . 0.0 111.155 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.6 m -149.06 -69.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.004 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.71 126.65 36.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.543 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 37.7 m-85 -109.25 126.25 53.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.364 0.602 . . . . 0.0 112.225 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.54 122.08 45.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.404 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.11 128.87 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.713 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.2 mt -92.77 119.94 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.997 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.753 HD11 ' CE1' ' D' ' 34' ' ' PHE . 3.9 tp . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' C' ' 25' ' ' THR . 20.0 t70 . . . . . 0 CA--C 1.52 -0.175 0 CA-C-O 121.236 0.541 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.535 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -52.95 -43.57 66.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.205 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.57 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.838 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.508 ' O ' HG23 ' C' ' 29' ' ' VAL . 40.0 m -63.56 -37.81 88.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.216 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.632 ' O ' HG23 ' C' ' 30' ' ' VAL . 30.4 t80 -64.23 -50.32 68.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.878 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -56.86 -49.39 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.769 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.24 -50.87 62.3 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.551 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 66.9 t -64.25 -43.64 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.632 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.8 t -69.75 -45.71 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.19 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . 0.437 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 74.4 tttt -64.75 -45.43 86.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.065 0.46 . . . . 0.0 110.692 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.95 -42.62 94.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.677 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.558 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.3 t80 -67.37 -47.26 70.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.755 ' CE1' HD11 ' D' ' 7' ' ' LEU . 30.6 m-85 -77.47 -30.05 52.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 1.0 OUTLIER -54.94 -29.43 56.49 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.073 0.463 . . . . 0.0 110.865 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -60.79 -17.75 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.87 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.604 ' OD1' HG23 ' C' ' 39' ' ' VAL . 13.0 p30 -103.59 -17.86 14.99 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.46 15.84 2.39 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.196 -1.002 . . . . 0.0 113.545 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.604 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.5 t -89.44 143.16 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 117.073 0.437 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -156.77 -179.58 8.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.993 0.425 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.12 -144.48 17.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.254 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.84 156.25 42.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -73.0 118.45 15.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 81.9 p -110.88 140.56 45.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.343 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.7 142.99 51.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.724 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.95 158.77 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.936 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.22 130.41 43.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.74 142.63 33.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.779 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 46' ' ' ASP . 26.4 m -137.4 156.31 48.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.387 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -125.11 120.5 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.396 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 24.3 m -106.52 133.02 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.315 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -80.88 118.49 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.356 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -92.96 123.17 36.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.482 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.32 155.84 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.142 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 54.5 m -149.06 -69.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.92 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.792 0.33 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.61 126.62 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.515 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.535 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.5 m-85 -109.32 126.28 53.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.37 0.605 . . . . 0.0 112.243 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.52 122.17 45.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.446 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.19 129.03 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.078 0.466 . . . . 0.0 111.71 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.3 mt -92.83 119.91 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.018 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.755 HD11 ' CE1' ' C' ' 34' ' ' PHE . 3.9 tp . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' D' ' 25' ' ' THR . 19.8 t70 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 121.327 0.585 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.543 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -53.16 -43.79 67.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.179 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.54 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.513 ' O ' HG23 ' D' ' 29' ' ' VAL . 41.2 m -63.51 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.224 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.641 ' O ' HG23 ' D' ' 30' ' ' VAL . 30.2 t80 -64.17 -50.31 68.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.901 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -56.88 -49.32 75.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.8 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.35 -50.83 62.23 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.558 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 66.4 t -64.26 -43.61 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.641 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.6 t -69.83 -45.58 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.123 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . 0.432 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 74.5 tttt -64.88 -45.36 86.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.988 0.423 . . . . 0.0 110.637 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -65.02 -42.63 94.25 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.578 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.551 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.3 t80 -67.48 -47.3 70.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.753 ' CE1' HD11 ' C' ' 7' ' ' LEU . 30.5 m-85 -77.42 -30.04 53.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 1.0 OUTLIER -54.96 -29.45 56.82 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.015 0.436 . . . . 0.0 110.858 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -60.7 -17.77 50.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.942 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.597 ' OD1' HG23 ' D' ' 39' ' ' VAL . 13.1 p30 -103.62 -17.79 15.0 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.49 15.66 2.42 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.226 -0.987 . . . . 0.0 113.605 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.597 HG23 ' OD1' ' D' ' 37' ' ' ASN . 22.1 t -89.41 143.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 117.116 0.458 . . . . 0.0 110.986 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -156.65 -178.92 7.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.171 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.46 -144.63 18.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.312 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.84 156.26 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -72.95 118.42 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.236 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.6 p -110.9 140.47 45.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.526 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -70.6 142.96 51.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.762 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' B' ' 49' ' ' THR . 1.0 OUTLIER -71.86 158.75 35.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -179.722 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.11 130.04 41.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 142.48 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.699 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 26.9 m -137.58 156.34 48.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.314 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -125.0 120.61 32.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.401 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 24.3 m -106.71 132.94 52.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.377 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -80.93 118.56 22.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.403 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 91.2 m -92.98 123.11 35.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.514 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.32 155.8 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.24 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 53.5 m -148.95 -68.96 0.22 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.91 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.745 0.307 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -86.51 123.28 31.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.411 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.3 m-85 -110.73 130.45 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.402 0.62 . . . . 0.0 112.201 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -106.4 126.02 51.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.627 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.527 HG12 HD12 ' A' ' 7' ' ' LEU . 23.5 t -142.14 128.0 18.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.963 0.411 . . . . 0.0 111.303 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.8 mt -93.34 125.42 45.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.767 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.241 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 25' ' ' THR . 28.8 t70 . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 121.418 0.628 . . . . 0.0 111.789 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.26 -44.68 33.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.613 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.64 68.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.262 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.7 m -62.2 -40.71 96.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.977 0.418 . . . . 0.0 110.448 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.6 t80 -66.98 -48.31 68.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.903 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 48.7 mt-10 -56.77 -52.4 65.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.013 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -67.29 -49.92 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.629 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 60.7 t -62.77 -42.5 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 26' ' ' PHE . 63.8 t -71.37 -44.94 71.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.867 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -62.91 -46.22 88.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -63.26 -46.42 86.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.373 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.628 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.5 t80 -67.4 -46.38 73.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.763 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 39.1 m-85 -75.12 -33.45 61.59 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -31.02 63.19 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.989 0.424 . . . . 0.0 111.0 178.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -62.01 -17.65 57.89 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.119 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.654 ' OD1' HG23 ' A' ' 39' ' ' VAL . 18.9 p30 -105.74 -21.91 13.07 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.03 13.37 1.77 Allowed Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.319 -0.943 . . . . 0.0 114.183 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.654 HG23 ' OD1' ' A' ' 37' ' ' ASN . 29.3 t -89.31 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.557 0.679 . . . . 0.0 110.826 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.18 -179.02 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 111.111 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.37 -145.86 18.09 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.545 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -147.76 155.13 41.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.388 . . . . 0.0 110.986 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 97.6 m95 -73.32 117.73 15.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.197 0.522 . . . . 0.0 111.381 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -111.07 141.62 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.325 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -69.89 144.87 52.35 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.817 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.35 159.83 33.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -66.22 126.32 28.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.5 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 144.01 28.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.948 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -139.47 156.64 46.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.469 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -124.56 119.63 29.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.991 0.424 . . . . 0.0 111.348 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.9 m -105.28 133.66 49.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.459 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -80.14 118.72 22.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -91.9 123.21 35.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.373 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.48 154.93 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.2 m -147.66 -68.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.065 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.849 0.357 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.41 123.12 31.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.353 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.433 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -110.72 130.59 55.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.369 0.604 . . . . 0.0 112.287 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -106.39 126.07 51.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.612 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.528 HG12 HD12 ' B' ' 7' ' ' LEU . 23.0 t -142.13 127.89 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.369 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 mt -93.13 125.51 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.59 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.763 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.326 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' B' ' 25' ' ' THR . 28.3 t70 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.398 0.618 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.22 -44.89 33.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.561 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.2 -28.52 68.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.283 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.614 ' O ' HG23 ' B' ' 29' ' ' VAL . 98.8 m -62.34 -40.7 97.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.019 0.437 . . . . 0.0 110.55 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.572 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.4 t80 -66.93 -48.21 69.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.889 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 48.5 mt-10 -56.79 -52.31 65.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.096 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -67.41 -49.86 61.98 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.628 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 61.1 t -62.81 -42.57 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 26' ' ' PHE . 64.7 t -71.36 -44.9 71.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.873 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -62.9 -46.1 89.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.0 110.629 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.35 -46.38 86.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.388 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.629 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.5 t80 -67.4 -46.41 73.29 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.767 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 39.1 m-85 -75.03 -33.29 61.76 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -30.98 63.35 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.978 0.418 . . . . 0.0 110.973 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.01 -17.66 57.95 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.096 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.654 ' OD1' HG23 ' B' ' 39' ' ' VAL . 18.9 p30 -105.89 -21.66 13.1 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.73 13.53 1.81 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.334 -0.936 . . . . 0.0 114.164 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.654 HG23 ' OD1' ' B' ' 37' ' ' ASN . 30.8 t -89.3 143.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 117.527 0.664 . . . . 0.0 110.763 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -157.44 -179.24 7.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.116 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.45 -145.77 18.03 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -147.92 155.01 41.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.85 0.357 . . . . 0.0 110.98 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 97.5 m95 -73.32 117.86 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.233 0.54 . . . . 0.0 111.41 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.7 p -111.24 141.65 44.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.417 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -69.86 144.79 52.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.859 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 159.86 33.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -66.07 126.02 27.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.48 144.13 26.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.123 0.487 . . . . 0.0 111.888 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.2 m -139.57 156.71 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.487 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -124.64 119.58 29.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.066 0.46 . . . . 0.0 111.382 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 50.0 m -105.19 133.53 49.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.403 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -80.03 118.19 21.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.225 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 93.0 m -91.48 123.12 34.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.34 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.44 154.89 7.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 110.983 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.6 m -147.48 -67.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.084 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tpt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.901 0.382 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -86.38 123.17 31.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.424 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.4 m-85 -110.71 130.37 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.276 0.56 . . . . 0.0 112.244 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -106.31 126.13 51.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.601 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.509 HG12 HD12 ' C' ' 7' ' ' LEU . 22.9 t -142.25 127.75 17.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.399 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -93.18 125.56 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.545 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.754 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.193 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.2 t70 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.423 0.63 . . . . 0.0 111.819 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.15 -44.85 32.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.633 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.39 -28.48 67.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.304 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.62 ' O ' HG23 ' C' ' 29' ' ' VAL . 99.4 m -62.23 -40.83 97.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.953 0.406 . . . . 0.0 110.455 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.578 ' O ' HG23 ' C' ' 30' ' ' VAL . 19.3 t80 -66.88 -47.98 70.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.944 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.416 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 49.5 mt-10 -56.98 -52.31 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.041 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -67.51 -49.66 62.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.645 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 60.8 t -62.78 -42.7 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.578 HG23 ' O ' ' C' ' 26' ' ' PHE . 64.9 t -71.21 -44.84 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.951 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -63.07 -46.04 89.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.619 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -63.23 -46.32 87.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.431 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.3 t80 -67.56 -46.35 72.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.773 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 39.2 m-85 -75.09 -33.25 61.61 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -31.03 63.51 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.953 0.406 . . . . 0.0 110.911 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.91 -17.67 57.51 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.146 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.669 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.1 p30 -105.91 -21.73 13.08 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.97 13.29 1.79 Allowed Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.286 -0.959 . . . . 0.0 114.196 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.669 HG23 ' OD1' ' C' ' 37' ' ' ASN . 31.7 t -89.3 143.33 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 117.6 0.7 . . . . 0.0 110.779 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -157.27 -179.11 7.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.958 0.409 . . . . 0.0 111.091 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.5 -145.84 18.02 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -147.68 155.04 41.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.901 0.381 . . . . 0.0 111.008 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . 0.416 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 97.5 m95 -73.44 117.58 15.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.199 0.523 . . . . 0.0 111.29 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -111.13 141.87 44.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.326 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -69.88 145.02 52.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.923 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.55 159.69 33.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.17 126.02 27.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.4 143.93 27.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.1 0.476 . . . . 0.0 111.918 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -139.47 156.67 46.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.49 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -124.55 119.66 29.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 111.357 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 48.3 m -105.36 133.55 49.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.397 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -80.12 118.16 21.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 95.0 m -91.32 123.25 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.42 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.53 154.88 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 38.8 m -147.74 -67.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.059 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.23 123.06 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.375 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.425 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.0 m-85 -110.7 130.6 55.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.334 0.588 . . . . 0.0 112.185 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -106.42 126.23 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.617 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.52 HG12 HD12 ' D' ' 7' ' ' LEU . 22.0 t -142.18 128.0 18.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.963 0.411 . . . . 0.0 111.444 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -93.3 125.54 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.512 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.773 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.212 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' D' ' 25' ' ' THR . 28.6 t70 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 121.41 0.624 . . . . 0.0 111.7 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.22 -44.74 33.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.582 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.7 68.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.307 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.627 ' O ' HG23 ' D' ' 29' ' ' VAL . 99.0 m -62.23 -40.57 96.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.514 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.59 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.5 t80 -67.08 -48.3 68.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.832 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 49.2 mt-10 -56.75 -52.37 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.052 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -67.32 -49.68 63.13 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 61.3 t -62.91 -42.56 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.59 HG23 ' O ' ' D' ' 26' ' ' PHE . 65.3 t -71.23 -45.02 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.916 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.82 -46.22 88.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.584 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -63.3 -46.47 86.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.314 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.645 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.4 t80 -67.35 -46.46 73.33 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.754 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 39.2 m-85 -74.93 -33.33 61.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -30.98 63.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.945 0.403 . . . . 0.0 111.024 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.1 -17.63 58.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.106 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.668 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.0 p30 -105.76 -21.88 13.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.95 13.34 1.79 Allowed Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.274 -0.965 . . . . 0.0 114.213 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.668 HG23 ' OD1' ' D' ' 37' ' ' ASN . 29.3 t -89.31 143.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 117.542 0.671 . . . . 0.0 110.732 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -157.21 -179.16 7.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 111.085 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.49 -145.88 18.03 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -147.79 155.05 41.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.847 0.356 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . 0.414 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 97.5 m95 -73.24 117.64 15.24 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.211 0.529 . . . . 0.0 111.411 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 65.0 p -111.02 141.79 44.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.416 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.1 144.87 51.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.857 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.34 159.7 33.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.06 126.35 28.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.55 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.79 144.1 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.132 0.492 . . . . 0.0 111.954 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -139.44 156.61 46.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.428 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -124.56 119.66 29.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.074 0.464 . . . . 0.0 111.375 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 49.7 m -105.26 133.59 49.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.392 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -80.09 118.04 21.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.0 m -91.41 123.29 34.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.408 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.44 154.77 7.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.956 0.408 . . . . 0.0 111.031 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 39.9 m -147.47 -67.87 0.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.843 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.032 179.805 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.41 121.62 31.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.127 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.598 ' CD2' HD13 ' B' ' 7' ' ' LEU . 41.1 m-85 -106.21 128.9 54.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.445 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.36 133.01 51.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -142.34 127.15 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -100.89 117.29 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 111.443 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.004 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 25' ' ' THR . 35.0 t70 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 121.371 0.605 . . . . 0.0 111.279 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.51 -41.49 53.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.544 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.13 71.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.356 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.3 m -63.85 -41.06 97.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.619 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.805 ' O ' HG23 ' A' ' 30' ' ' VAL . 40.9 t80 -66.81 -46.91 73.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.04 0.448 . . . . 0.0 111.009 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 3.2 tt0 -54.89 -50.8 67.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.258 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -67.08 -44.62 79.59 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 25' ' ' THR . 64.7 t -62.44 -41.34 91.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 26' ' ' PHE . 37.2 t -67.94 -47.11 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -62.62 -46.0 90.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.959 0.409 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.78 -40.59 92.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.761 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.594 ' HZ ' HG22 ' B' ' 25' ' ' THR . 4.5 t80 -68.35 -49.59 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.411 ' HA ' ' ND2' ' A' ' 37' ' ' ASN . 30.2 m-85 -76.78 -30.99 56.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.67 -31.06 57.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 111.186 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -17.89 58.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.803 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 34' ' ' PHE . 4.9 m-80 -103.49 -19.93 14.22 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.0 15.85 3.06 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.501 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.6 t -88.99 142.73 12.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 117.234 0.517 . . . . 0.0 110.279 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -155.76 -177.48 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.43 . . . . 0.0 111.23 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.01 -145.21 18.15 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.259 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -148.61 155.96 41.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.934 0.397 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.443 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 83.6 m95 -73.13 121.02 19.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.394 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.7 p -113.02 138.43 49.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.363 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.84 142.61 53.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.617 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.66 158.73 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.701 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -66.32 131.73 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.724 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.45 141.98 34.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.044 0.45 . . . . 0.0 111.719 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.8 m -136.63 156.73 48.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.765 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -120.66 126.91 51.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.003 0.43 . . . . 0.0 111.231 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.2 m -115.29 129.93 56.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.42 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -81.04 121.19 25.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.557 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -96.52 122.22 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.061 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -71.04 155.59 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.216 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.1 m -148.53 -69.6 0.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.919 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.4 121.59 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.041 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.615 ' CD2' HD13 ' A' ' 7' ' ' LEU . 40.8 m-85 -106.2 128.87 54.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.509 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.31 132.86 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.32 127.12 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.685 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.5 mt -100.93 117.34 46.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 111.512 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.644 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.067 179.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.458 ' O ' ' HB ' ' B' ' 25' ' ' THR . 33.8 t70 . . . . . 0 N--CA 1.461 0.106 0 CA-C-O 121.378 0.608 . . . . 0.0 112.269 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.401 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.68 -41.79 56.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.472 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.19 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.314 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.722 ' O ' HG23 ' B' ' 29' ' ' VAL . 14.9 m -63.88 -40.82 97.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.665 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.813 ' O ' HG23 ' B' ' 30' ' ' VAL . 41.0 t80 -66.99 -46.95 72.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.444 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 3.1 tt0 -54.87 -50.77 67.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.318 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -66.99 -44.76 79.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 25' ' ' THR . 64.6 t -62.36 -41.3 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.813 HG23 ' O ' ' B' ' 26' ' ' PHE . 36.2 t -67.96 -47.17 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -62.57 -45.92 90.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.975 0.417 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.87 -40.72 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.755 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.593 ' HZ ' HG22 ' A' ' 25' ' ' THR . 4.5 t80 -68.23 -49.48 60.38 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.406 ' HA ' ' ND2' ' B' ' 37' ' ' ASN . 30.1 m-85 -76.76 -31.1 56.85 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.67 -30.99 56.99 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.856 0.36 . . . . 0.0 111.219 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -17.74 58.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.836 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' B' ' 34' ' ' PHE . 5.1 m-80 -103.62 -20.06 14.13 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.12 15.96 3.0 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.437 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.5 t -89.14 142.8 12.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 117.223 0.512 . . . . 0.0 110.176 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -155.81 -177.37 6.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.384 . . . . 0.0 111.121 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.92 -145.35 18.2 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.265 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -148.61 155.87 41.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.444 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 83.5 m95 -72.9 120.99 19.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.432 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 81.2 p -113.01 138.54 49.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.37 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -69.82 142.7 53.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.692 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.63 158.56 35.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.686 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -66.21 131.92 47.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.39 141.56 35.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.059 0.456 . . . . 0.0 111.689 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -136.39 156.67 48.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.735 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -120.64 127.09 51.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.033 0.444 . . . . 0.0 111.259 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 53.3 m -115.41 129.98 56.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.455 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -81.11 121.24 25.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.553 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -96.59 121.94 38.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.086 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.407 HG12 ' N ' ' B' ' 55' ' ' THR . 5.4 t -70.8 155.43 7.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.927 0.394 . . . . 0.0 111.204 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.407 ' N ' HG12 ' B' ' 54' ' ' VAL . 57.2 m -148.22 -69.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.917 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.749 0.309 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -89.5 121.69 31.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.597 ' CD2' HD13 ' D' ' 7' ' ' LEU . 41.0 m-85 -106.17 128.94 54.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.443 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.46 133.04 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -142.23 127.19 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.712 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -100.98 117.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.75 0.31 . . . . 0.0 111.559 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.088 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' C' ' 25' ' ' THR . 34.1 t70 . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 121.49 0.662 . . . . 0.0 112.163 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.67 -41.82 55.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.506 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.14 -31.04 71.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.289 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.713 ' O ' HG23 ' C' ' 29' ' ' VAL . 14.8 m -63.75 -41.01 98.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.68 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.838 ' O ' HG23 ' C' ' 30' ' ' VAL . 40.5 t80 -66.76 -47.14 73.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.091 0.472 . . . . 0.0 110.988 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 3.2 tt0 -54.79 -50.85 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.211 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -66.84 -44.98 79.64 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.713 HG23 ' O ' ' C' ' 25' ' ' THR . 64.0 t -62.21 -41.5 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.838 HG23 ' O ' ' C' ' 26' ' ' PHE . 37.0 t -68.01 -46.97 80.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -62.51 -46.1 89.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.962 0.41 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -65.78 -40.71 92.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.785 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.57 ' HZ ' HG22 ' D' ' 25' ' ' THR . 4.5 t80 -68.21 -49.54 60.12 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -76.68 -31.15 57.09 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.6 -30.98 56.19 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 111.284 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.98 -17.91 58.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.789 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -103.47 -20.01 14.2 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.16 15.84 3.02 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.56 -0.829 . . . . 0.0 113.468 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.02 142.82 12.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 117.227 0.514 . . . . 0.0 110.198 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -155.82 -177.39 6.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 111.179 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.78 -145.24 18.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.19 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -148.76 155.96 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.981 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 83.4 m95 -73.04 121.04 19.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.442 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -112.98 138.45 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.374 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.89 142.57 52.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.688 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.56 158.75 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.754 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -66.32 131.95 47.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.3 141.55 35.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.058 0.456 . . . . 0.0 111.664 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -136.36 156.67 48.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.736 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -120.81 126.92 51.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.061 0.458 . . . . 0.0 111.16 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 53.6 m -115.28 130.07 56.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.295 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -81.12 121.12 25.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.55 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -96.43 122.05 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.117 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.406 HG12 ' N ' ' C' ' 55' ' ' THR . 5.5 t -70.94 155.54 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.967 0.413 . . . . 0.0 111.14 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.406 ' N ' HG12 ' C' ' 54' ' ' VAL . 56.5 m -148.33 -69.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.088 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.863 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.721 0.296 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -89.46 121.5 31.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.613 ' CD2' HD13 ' C' ' 7' ' ' LEU . 40.8 m-85 -106.11 128.82 54.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.473 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -106.33 132.99 51.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.38 127.06 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.688 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mt -100.74 117.3 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 111.559 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.647 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.064 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' D' ' 25' ' ' THR . 35.0 t70 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.365 0.602 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.45 -41.49 52.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.49 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.1 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.377 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.713 ' O ' HG23 ' D' ' 29' ' ' VAL . 15.2 m -63.74 -41.1 98.08 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.649 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.825 ' O ' HG23 ' D' ' 30' ' ' VAL . 40.6 t80 -66.76 -46.99 73.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.077 0.465 . . . . 0.0 110.999 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 3.2 tt0 -54.86 -50.88 67.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.187 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -66.95 -44.76 79.76 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.713 HG23 ' O ' ' D' ' 25' ' ' THR . 64.4 t -62.31 -41.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.825 HG23 ' O ' ' D' ' 26' ' ' PHE . 37.2 t -67.94 -47.08 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -62.64 -45.93 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.82 -40.61 92.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.838 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.577 ' HZ ' HG22 ' C' ' 25' ' ' THR . 4.5 t80 -68.39 -49.4 60.35 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.416 ' HA ' ' ND2' ' D' ' 37' ' ' ASN . 30.2 m-85 -76.8 -30.99 56.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -31.06 57.36 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.935 0.398 . . . . 0.0 111.274 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.92 -17.89 58.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.842 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' D' ' 34' ' ' PHE . 4.9 m-80 -103.58 -19.91 14.19 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.04 16.01 3.02 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.472 -0.871 . . . . 0.0 113.42 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.16 142.82 12.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 117.247 0.523 . . . . 0.0 110.174 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -155.83 -177.4 6.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 0.0 111.149 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.81 -145.18 18.2 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.133 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -148.81 155.95 41.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.378 . . . . 0.0 110.955 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 83.4 m95 -72.92 121.01 19.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.423 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.1 p -112.94 138.39 49.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.405 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -69.73 142.69 53.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.61 158.57 35.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -66.11 131.68 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.3 141.78 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.678 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 13.9 m -136.52 156.77 48.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.808 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -120.76 127.09 51.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.041 0.448 . . . . 0.0 111.182 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 53.0 m -115.37 130.04 56.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.51 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -81.21 121.17 25.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.466 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 94.2 m -96.53 122.04 39.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.1 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.41 HG12 ' N ' ' D' ' 55' ' ' THR . 5.4 t -70.86 155.63 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 111.172 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.41 ' N ' HG12 ' D' ' 54' ' ' VAL . 56.8 m -148.55 -69.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.079 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.877 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.777 0.322 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -88.83 122.21 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.401 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.534 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 40.7 m-85 -108.52 132.67 53.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 111.896 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -106.59 129.58 54.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.8 t -142.34 125.0 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.61 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.24 117.21 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.717 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.188 178.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.7 t0 . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.274 0.559 . . . . 0.0 111.325 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -51.09 -43.14 61.0 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.21 -30.24 68.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.216 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.7 m -61.71 -37.88 85.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.002 0.43 . . . . 0.0 110.392 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.685 ' O ' HG23 ' A' ' 30' ' ' VAL . 16.0 t80 -68.32 -48.73 64.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.024 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.24 -53.64 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.293 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -67.8 -47.55 68.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.614 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 95.0 t -63.07 -41.81 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.7 t -69.74 -45.7 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -63.26 -45.15 92.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.03 0.443 . . . . 0.0 110.536 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -45.41 90.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.213 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.621 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 3.9 t80 -67.05 -47.08 72.43 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 38.1 m-85 -74.84 -32.88 62.04 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -30.5 62.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.943 0.401 . . . . 0.0 111.085 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -61.36 -17.47 54.1 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.359 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.628 ' OD1' HG23 ' A' ' 39' ' ' VAL . 20.6 p30 -107.78 -20.47 13.2 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.8 14.52 1.67 Allowed Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.246 -0.978 . . . . 0.0 114.235 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.628 HG23 ' OD1' ' A' ' 37' ' ' ASN . 21.7 t -89.73 143.53 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 117.651 0.726 . . . . 0.0 110.741 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -153.56 -178.2 6.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 111.049 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.94 -145.56 18.72 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.727 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -150.34 157.87 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.924 0.392 . . . . 0.0 111.135 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -72.9 119.9 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.236 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -113.71 139.98 48.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.524 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.03 142.57 50.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.92 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.56 160.34 32.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -66.07 132.23 48.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.337 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.38 139.79 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.085 0.469 . . . . 0.0 112.019 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -132.22 156.53 46.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.523 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -124.4 122.55 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.027 0.441 . . . . 0.0 111.287 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -109.46 128.36 55.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.194 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.05 113.55 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.247 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -91.69 124.57 35.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.364 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 55' ' ' THR . 7.3 t -71.44 156.77 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.186 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.892 HG22 ' HG2' ' A' ' 56' ' ' GLU . 60.0 m -143.93 -77.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.444 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.892 ' HG2' HG22 ' A' ' 55' ' ' THR . 6.4 pt-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.836 0.35 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -88.82 122.08 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.545 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.524 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 40.5 m-85 -108.67 132.53 53.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.274 0.559 . . . . 0.0 111.853 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -106.43 129.82 54.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.074 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.37 125.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.656 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 19.5 mt -98.42 117.26 43.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.734 0.302 . . . . 0.0 111.795 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.332 -0.18 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.234 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' B' ' 25' ' ' THR . 27.9 t0 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 121.492 0.663 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.534 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.27 -43.46 61.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.232 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.11 68.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.285 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' B' ' 29' ' ' VAL . 31.5 m -61.83 -37.8 85.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.439 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.679 ' O ' HG23 ' B' ' 30' ' ' VAL . 16.6 t80 -68.45 -48.63 64.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.962 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.45 -53.47 53.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.209 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -67.79 -47.58 68.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.621 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 90.7 t -63.01 -41.88 94.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.1 t -69.67 -45.78 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -63.12 -45.2 93.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -45.52 90.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.225 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.614 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.0 t80 -66.89 -47.12 72.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 37.8 m-85 -74.89 -32.81 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -30.53 62.98 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.944 0.402 . . . . 0.0 111.122 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -61.34 -17.45 53.93 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.388 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.647 ' OD1' HG23 ' B' ' 39' ' ' VAL . 20.5 p30 -107.76 -20.07 13.33 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.17 14.81 1.75 Allowed Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.18 -1.01 . . . . 0.0 114.24 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.647 HG23 ' OD1' ' B' ' 37' ' ' ASN . 21.8 t -89.96 143.47 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 117.606 0.703 . . . . 0.0 110.672 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -153.39 -178.33 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.052 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.15 -145.64 18.69 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.781 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -150.32 157.81 43.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.84 0.353 . . . . 0.0 111.221 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -72.95 119.88 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.24 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.2 p -113.8 140.1 48.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.498 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.0 142.42 50.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.917 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.46 160.45 32.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.07 132.11 47.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.559 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.08 139.4 35.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.094 0.473 . . . . 0.0 111.822 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 10.0 m -132.1 156.59 46.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -124.64 122.2 36.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.065 0.459 . . . . 0.0 111.43 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 54.5 m -109.2 128.41 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.107 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -82.17 113.23 19.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.292 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -91.34 124.54 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.302 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.434 HG12 ' N ' ' B' ' 55' ' ' THR . 8.1 t -71.62 156.91 6.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.214 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.913 HG22 ' HG2' ' B' ' 56' ' ' GLU . 60.0 m -143.93 -77.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.354 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.913 ' HG2' HG22 ' B' ' 55' ' ' THR . 6.3 pt-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.957 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.759 0.314 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -88.76 122.19 31.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.593 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.519 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 40.6 m-85 -108.54 132.62 53.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.245 0.545 . . . . 0.0 111.904 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -106.61 129.69 54.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.34 124.95 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.622 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 18.6 mt -98.16 117.26 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.748 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.557 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.458 ' O ' ' HB ' ' C' ' 25' ' ' THR . 29.9 t0 . . . . . 0 CA--C 1.52 -0.21 0 CA-C-O 121.43 0.633 . . . . 0.0 111.575 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.518 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -51.16 -43.29 61.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.119 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.08 -30.06 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.244 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.604 ' O ' HG23 ' C' ' 29' ' ' VAL . 30.9 m -61.85 -37.83 85.96 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.043 0.449 . . . . 0.0 110.457 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.664 ' O ' HG23 ' C' ' 30' ' ' VAL . 16.2 t80 -68.37 -48.77 63.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.941 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -54.24 -53.59 51.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.294 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -67.83 -47.47 68.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.608 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 90.4 t -63.06 -41.82 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.664 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.4 t -69.61 -45.7 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -63.3 -45.13 92.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.035 0.445 . . . . 0.0 110.616 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.55 -45.16 91.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.264 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.611 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 3.9 t80 -67.18 -47.11 71.95 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 38.5 m-85 -74.91 -32.91 61.92 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.44 -30.51 62.93 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.005 0.431 . . . . 0.0 111.114 178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.32 -17.38 53.45 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.387 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.634 ' OD1' HG23 ' C' ' 39' ' ' VAL . 20.6 p30 -107.9 -20.26 13.25 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.49 14.52 1.73 Allowed Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.244 -0.979 . . . . 0.0 114.363 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.634 HG23 ' OD1' ' C' ' 37' ' ' ASN . 21.7 t -89.72 143.52 11.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 117.5 0.65 . . . . 0.0 110.694 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -153.61 -178.1 6.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.019 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.9 -145.51 18.71 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.784 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -150.31 157.86 43.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 111.151 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -73.04 120.05 18.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.235 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -113.86 140.02 48.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.541 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -70.91 142.31 51.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.94 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.27 160.44 32.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.23 132.42 48.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.37 139.54 36.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.082 0.468 . . . . 0.0 111.904 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 10.9 m -131.98 156.55 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.421 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -124.39 122.39 37.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 111.314 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 53.8 m -109.4 128.35 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.158 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -82.24 113.54 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -91.57 124.54 35.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.373 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.43 HG12 ' N ' ' C' ' 55' ' ' THR . 8.8 t -71.36 156.86 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 111.137 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.89 HG22 ' HG2' ' C' ' 56' ' ' GLU . 61.4 m -144.0 -77.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.409 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . 0.89 ' HG2' HG22 ' C' ' 55' ' ' THR . 6.4 pt-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.823 0.344 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -88.8 122.1 31.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.473 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.518 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 41.1 m-85 -108.58 132.65 53.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.212 0.53 . . . . 0.0 111.919 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -106.55 129.9 54.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 20.2 t -142.36 124.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.671 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 18.7 mt -98.39 117.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.769 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.054 178.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' D' ' 25' ' ' THR . 31.1 t0 . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.365 0.602 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.519 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -51.06 -43.19 60.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.12 68.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.305 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.6 ' O ' HG23 ' D' ' 29' ' ' VAL . 31.6 m -61.83 -37.92 86.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.086 0.47 . . . . 0.0 110.427 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.666 ' O ' HG23 ' D' ' 30' ' ' VAL . 16.3 t80 -68.33 -48.61 64.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.981 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.34 -53.48 53.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.282 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -67.88 -47.52 68.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.611 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 89.4 t -63.12 -41.82 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.666 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.1 t -69.61 -45.9 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -63.17 -45.15 93.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.941 0.401 . . . . 0.0 110.478 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -45.45 90.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.3 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.608 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 3.9 t80 -66.95 -47.19 72.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.557 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 38.1 m-85 -74.87 -32.86 61.98 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -30.49 62.84 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.005 0.431 . . . . 0.0 111.107 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.41 -17.41 54.05 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.368 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.636 ' OD1' HG23 ' D' ' 39' ' ' VAL . 20.6 p30 -107.76 -20.06 13.33 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.31 14.62 1.75 Allowed Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.229 -0.986 . . . . 0.0 114.203 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.636 HG23 ' OD1' ' D' ' 37' ' ' ASN . 21.7 t -89.86 143.49 11.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 117.622 0.711 . . . . 0.0 110.718 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -153.53 -178.31 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.022 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.16 -145.8 18.71 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.844 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -150.15 157.75 43.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 111.21 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -72.98 120.05 18.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.254 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -113.86 140.01 48.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.559 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -71.04 142.58 50.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.883 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.55 160.26 32.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -66.0 132.42 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.466 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.66 139.83 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 111.952 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 10.3 m -132.13 156.63 46.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.612 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -124.59 121.99 36.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.988 0.423 . . . . 0.0 111.326 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -108.99 128.46 54.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.177 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.17 113.28 19.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -91.32 124.6 35.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.342 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.422 HG12 ' N ' ' D' ' 55' ' ' THR . 7.6 t -71.67 156.7 6.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 0.0 111.109 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.893 HG22 ' HG2' ' D' ' 56' ' ' GLU . 59.8 m -143.78 -77.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.416 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . 0.893 ' HG2' HG22 ' D' ' 55' ' ' THR . 6.3 pt-20 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.411 ' HG3' HG23 ' D' ' 49' ' ' THR . 19.0 pt20 -91.62 124.89 36.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.161 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 43.5 m-85 -108.84 133.57 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.231 0.538 . . . . 0.0 112.093 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -106.66 126.38 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.559 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 7' ' ' LEU . 18.4 t -141.8 130.01 21.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.607 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' B' ' 1' ' ' MET . 24.9 mt -95.61 123.07 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.348 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.81 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.274 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' A' ' 25' ' ' THR . 9.9 t70 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.29 0.567 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.0 -44.69 30.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.483 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.41 -28.51 67.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.322 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.6 m -61.81 -40.49 95.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.019 0.438 . . . . 0.0 110.511 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.652 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.2 t80 -66.9 -49.18 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.873 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.04 -53.8 52.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.2 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -65.9 -49.71 67.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.702 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 62.0 t -62.53 -41.54 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 26' ' ' PHE . 66.6 t -71.42 -46.12 65.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 35.2 tttt -62.88 -45.59 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.693 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -63.3 -46.03 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.042 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.704 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.9 t80 -67.65 -46.48 72.3 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.808 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 38.7 m-85 -74.82 -33.56 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -55.87 -31.02 62.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.012 0.434 . . . . 0.0 110.868 178.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.65 -18.3 58.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.08 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.5 p30 -105.02 -20.71 13.44 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.81 15.34 1.75 Allowed Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.106 -1.045 . . . . 0.0 114.049 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.662 HG23 ' OD1' ' A' ' 37' ' ' ASN . 30.3 t -90.12 143.07 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 117.34 0.57 . . . . 0.0 110.861 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -155.22 179.97 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.012 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.96 -144.66 17.97 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.399 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -148.73 156.16 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -73.32 118.9 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.065 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.1 p -111.61 139.91 46.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.747 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.85 141.11 49.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.491 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.51 160.1 33.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.646 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.69 136.86 56.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.469 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.05 138.4 44.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.181 0.515 . . . . 0.0 111.952 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.418 HG23 ' HG3' ' D' ' 2' ' ' GLN . 47.2 m -126.67 156.51 40.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.501 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -125.02 115.97 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -107.04 127.72 53.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.375 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -81.05 115.23 20.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.486 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -91.43 124.04 35.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.388 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 55' ' ' THR . 5.8 t -71.47 156.77 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 111.275 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.409 ' N ' HG12 ' A' ' 54' ' ' VAL . 57.9 m -148.19 -69.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.916 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.433 ' HG3' HG23 ' C' ' 49' ' ' THR . 18.9 pt20 -91.49 124.71 35.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.236 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 44.2 m-85 -108.79 133.5 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.224 0.535 . . . . 0.0 112.072 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -106.45 126.51 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.615 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.495 HG12 HD12 ' B' ' 7' ' ' LEU . 18.3 t -141.92 129.87 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 111.586 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 1' ' ' MET . 25.6 mt -95.52 123.24 47.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.273 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.808 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.457 ' O ' ' HB ' ' B' ' 25' ' ' THR . 10.1 t70 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.314 0.578 . . . . 0.0 111.555 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.96 -44.62 30.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.419 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.48 -28.51 67.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.384 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.589 ' O ' HG23 ' B' ' 29' ' ' VAL . 93.6 m -61.89 -40.55 95.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.404 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.643 ' HB2' HD22 ' B' ' 7' ' ' LEU . 19.1 t80 -66.78 -49.31 66.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.8 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -55.91 -53.85 51.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.175 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -65.99 -49.49 67.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.704 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 61.3 t -62.61 -41.63 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 26' ' ' PHE . 67.6 t -71.24 -46.42 65.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -62.68 -45.56 92.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.389 . . . . 0.0 110.718 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -63.29 -46.0 88.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.154 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.702 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.9 t80 -67.62 -46.58 72.11 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.81 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 38.6 m-85 -74.85 -33.53 62.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.86 -30.87 62.18 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.988 0.423 . . . . 0.0 110.84 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.82 -18.37 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.988 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.682 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.6 p30 -104.96 -20.73 13.45 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.82 15.04 1.79 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.102 -1.047 . . . . 0.0 114.087 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.682 HG23 ' OD1' ' B' ' 37' ' ' ASN . 30.1 t -89.91 142.98 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 117.346 0.573 . . . . 0.0 110.921 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -155.16 179.86 8.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.081 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.26 -144.56 17.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -148.92 156.08 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.28 118.76 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.2 p -111.46 139.89 46.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.79 141.18 49.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.525 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.56 160.17 33.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.67 136.77 56.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.55 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.89 138.37 43.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.142 0.496 . . . . 0.0 111.914 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.419 HG23 ' HG3' ' C' ' 2' ' ' GLN . 47.9 m -126.64 156.61 40.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.473 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -125.08 115.93 21.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.013 0.435 . . . . 0.0 111.079 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 55.4 m -107.1 127.87 53.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.319 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -81.04 115.13 20.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.503 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.9 m -91.38 123.93 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.356 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.423 HG12 ' N ' ' B' ' 55' ' ' THR . 6.0 t -71.4 156.83 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 0.0 111.24 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.423 ' N ' HG12 ' B' ' 54' ' ' VAL . 58.2 m -148.36 -69.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.95 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.426 ' O ' ' HA ' ' D' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.419 ' HG3' HG23 ' B' ' 49' ' ' THR . 18.8 pt20 -91.67 124.88 36.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.225 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.431 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 43.6 m-85 -108.78 133.47 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.277 0.561 . . . . 0.0 112.09 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -106.52 126.43 52.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.527 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.508 HG12 HD12 ' C' ' 7' ' ' LEU . 18.9 t -141.9 129.91 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.493 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' D' ' 1' ' ' MET . 25.2 mt -95.55 123.13 47.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.344 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.798 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.329 -0.299 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' C' ' 25' ' ' THR . 9.8 t70 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 121.283 0.563 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.03 -44.72 31.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.455 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.4 -28.42 67.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.379 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.598 ' O ' HG23 ' C' ' 29' ' ' VAL . 93.9 m -61.86 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 110.415 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.641 ' HB2' HD22 ' C' ' 7' ' ' LEU . 19.3 t80 -67.05 -49.26 65.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.773 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -55.94 -53.94 50.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.162 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -65.94 -49.81 66.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.683 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 61.3 t -62.37 -41.47 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.623 HG23 ' O ' ' C' ' 26' ' ' PHE . 70.9 t -71.45 -46.08 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -62.85 -45.67 91.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.938 0.399 . . . . 0.0 110.729 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -63.11 -46.18 88.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.686 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.0 t80 -67.46 -46.59 72.6 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 38.6 m-85 -74.88 -33.55 62.09 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -30.92 62.24 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.801 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -61.77 -18.3 59.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.997 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.681 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.7 p30 -105.0 -20.79 13.42 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.79 15.3 1.76 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.099 -1.048 . . . . 0.0 114.051 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.681 HG23 ' OD1' ' C' ' 37' ' ' ASN . 30.6 t -90.04 142.89 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 117.377 0.588 . . . . 0.0 110.917 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -155.17 179.92 8.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.925 0.393 . . . . 0.0 111.04 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.1 -144.62 17.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.359 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -148.89 156.07 41.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.906 0.384 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.25 118.76 16.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 66.3 p -111.36 139.86 46.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.735 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -71.77 141.07 49.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.51 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.55 160.16 33.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.655 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.66 136.89 56.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.498 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.97 138.27 44.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.057 0.456 . . . . 0.0 111.984 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . 0.433 HG23 ' HG3' ' B' ' 2' ' ' GLN . 46.8 m -126.61 156.58 40.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.433 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -125.0 115.88 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -107.02 127.8 53.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.414 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -81.05 115.25 20.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.641 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 88.4 m -91.46 124.01 35.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.371 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.413 HG12 ' N ' ' C' ' 55' ' ' THR . 5.8 t -71.46 156.71 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 111.283 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.413 ' N ' HG12 ' C' ' 54' ' ' VAL . 57.3 m -148.2 -68.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.423 ' O ' ' HA ' ' C' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . 0.418 ' HG3' HG23 ' A' ' 49' ' ' THR . 19.0 pt20 -91.66 124.7 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.145 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.439 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 43.8 m-85 -108.61 133.46 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.227 0.537 . . . . 0.0 112.067 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -106.53 126.39 52.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.596 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.486 HG12 HD12 ' D' ' 7' ' ' LEU . 18.3 t -141.78 129.92 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.601 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' C' ' 1' ' ' MET . 26.0 mt -95.55 123.19 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.358 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.809 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.1 mp . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' D' ' 25' ' ' THR . 10.2 t70 . . . . . 0 CA--C 1.521 -0.171 0 CA-C-O 121.337 0.589 . . . . 0.0 111.511 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.07 -44.5 31.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.512 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.49 67.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.346 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.6 ' O ' HG23 ' D' ' 29' ' ' VAL . 94.7 m -61.74 -40.61 95.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.458 . . . . 0.0 110.485 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.637 ' HB2' HD22 ' D' ' 7' ' ' LEU . 19.3 t80 -66.86 -49.22 66.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . 0.401 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 51.7 mt-10 -56.04 -53.79 52.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.196 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -66.06 -49.48 67.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.686 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 61.6 t -62.56 -41.64 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.634 HG23 ' O ' ' D' ' 26' ' ' PHE . 67.7 t -71.26 -46.25 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -62.79 -45.63 91.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.635 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -63.32 -45.93 89.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.683 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.9 t80 -67.61 -46.56 72.2 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 38.5 m-85 -74.87 -33.58 62.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -30.89 62.19 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.983 0.42 . . . . 0.0 110.881 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -61.81 -18.42 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.919 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.67 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.6 p30 -104.91 -20.58 13.51 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.81 14.97 1.8 Allowed Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.098 -1.048 . . . . 0.0 114.058 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.67 HG23 ' OD1' ' D' ' 37' ' ' ASN . 29.5 t -90.0 142.99 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 117.446 0.623 . . . . 0.0 110.88 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -155.14 -179.98 8.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.99 -144.66 17.97 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -148.8 156.13 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . 0.401 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 94.1 m95 -73.34 118.9 16.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.024 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -111.5 139.93 46.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.717 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.75 141.05 49.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.508 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.49 160.08 33.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.667 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.56 136.93 56.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.63 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.9 138.4 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.969 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . 0.411 HG23 ' HG3' ' A' ' 2' ' ' GLN . 47.6 m -126.85 156.54 41.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.42 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -124.99 115.96 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.385 . . . . 0.0 111.231 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -107.04 127.87 53.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.37 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -81.18 115.3 20.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.51 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 82.6 m -91.57 123.93 35.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.33 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.416 HG12 ' N ' ' D' ' 55' ' ' THR . 5.8 t -71.47 156.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.942 0.401 . . . . 0.0 111.268 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.416 ' N ' HG12 ' D' ' 54' ' ' VAL . 57.6 m -147.94 -68.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.96 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.729 0.299 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -89.4 122.61 32.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.468 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.44 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 41.4 m-85 -110.53 135.26 51.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.479 0.657 . . . . 0.0 112.375 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -106.49 132.65 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.774 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.534 HG12 HD12 ' A' ' 7' ' ' LEU . 21.3 t -142.2 127.56 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 mt -98.58 125.19 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.478 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.777 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.329 -0.287 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' A' ' 25' ' ' THR . 1.9 m-20 . . . . . 0 CA--C 1.519 -0.237 0 CA-C-O 121.28 0.562 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -49.42 -43.72 44.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.14 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.58 -29.46 68.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.347 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.634 ' O ' HG23 ' A' ' 29' ' ' VAL . 73.9 m -62.56 -39.95 95.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.4 t80 -67.42 -43.69 80.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.722 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 2.6 tt0 -58.53 -53.93 52.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.25 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -68.17 -46.72 69.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 25' ' ' THR . 60.5 t -63.36 -43.36 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 26' ' ' PHE . 48.5 t -72.12 -43.91 65.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -63.45 -46.48 86.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 110.79 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -64.18 -44.66 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.386 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.621 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 5.1 t80 -67.8 -47.68 68.41 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 40.8 m-85 -74.22 -32.81 63.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -30.42 63.75 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.104 0.478 . . . . 0.0 110.734 178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.54 -18.38 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.912 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.733 ' OD1' HG23 ' A' ' 39' ' ' VAL . 20.6 p30 -105.99 -21.74 13.07 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.45 13.92 1.81 Allowed Glycine 0 CA--C 1.521 0.406 0 C-N-CA 120.166 -1.016 . . . . 0.0 114.021 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.733 HG23 ' OD1' ' A' ' 37' ' ' ASN . 25.3 t -89.12 143.31 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 117.294 0.547 . . . . 0.0 110.83 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.85 -179.49 8.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.996 0.427 . . . . 0.0 111.245 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.98 -145.11 18.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.404 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -147.78 154.81 40.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.378 . . . . 0.0 111.034 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.459 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 89.8 m95 -74.05 118.68 17.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.182 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.0 p -110.38 141.51 43.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.527 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.22 141.16 52.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.479 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.28 160.95 31.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.009 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -65.67 127.45 31.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.565 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.55 144.05 27.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.794 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -140.77 156.35 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.287 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -121.81 123.73 42.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.019 0.437 . . . . 0.0 111.283 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -106.93 131.05 54.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.405 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -80.56 119.44 23.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -94.51 124.0 38.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.354 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 55' ' ' THR . 6.1 t -70.98 156.04 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.424 . . . . 0.0 111.196 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.402 ' N ' HG12 ' A' ' 54' ' ' VAL . 42.6 m -149.54 -67.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.904 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -89.27 122.53 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.457 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.437 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 41.7 m-85 -110.35 135.2 51.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.483 0.658 . . . . 0.0 112.308 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -106.53 132.68 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.729 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.536 HG12 HD12 ' B' ' 7' ' ' LEU . 21.4 t -142.24 127.44 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 22.2 mt -98.43 125.25 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.366 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.78 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.33 -0.248 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' B' ' 25' ' ' THR . 2.0 m-20 . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 121.448 0.642 . . . . 0.0 111.825 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -49.66 -43.89 47.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.126 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.27 -29.47 69.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.383 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.637 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.0 m -62.76 -39.82 95.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.654 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.4 t80 -67.44 -43.9 80.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.723 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 2.6 tt0 -58.32 -53.95 52.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.365 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -68.19 -46.72 69.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 25' ' ' THR . 60.0 t -63.34 -43.27 98.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 26' ' ' PHE . 48.9 t -72.18 -43.93 65.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -63.54 -46.35 86.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -64.21 -44.58 91.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.453 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.2 t80 -67.8 -47.72 68.29 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.777 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 40.7 m-85 -74.27 -32.74 63.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.85 -30.52 63.88 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.029 0.442 . . . . 0.0 110.694 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -61.52 -18.42 59.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.898 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.73 ' OD1' HG23 ' B' ' 39' ' ' VAL . 20.6 p30 -105.92 -21.91 13.04 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.68 13.66 1.8 Allowed Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.975 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.73 HG23 ' OD1' ' B' ' 37' ' ' ASN . 25.2 t -88.96 143.35 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.331 0.565 . . . . 0.0 110.877 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -157.85 -179.34 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.76 -144.9 18.14 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.403 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -147.97 154.7 40.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.918 0.39 . . . . 0.0 111.005 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 89.7 m95 -73.83 118.6 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.5 p -110.36 141.52 43.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.398 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -70.25 140.99 52.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.394 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.08 160.99 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -65.63 127.3 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.14 143.6 26.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.671 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.9 m -140.63 156.31 46.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.276 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -121.72 123.93 43.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.461 . . . . 0.0 111.359 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 54.6 m -107.13 130.99 54.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.409 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -80.57 119.44 23.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.377 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 87.6 m -94.52 124.03 38.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 55' ' ' THR . 6.2 t -70.86 156.13 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.412 ' N ' HG12 ' B' ' 54' ' ' VAL . 43.2 m -149.66 -67.66 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.872 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.762 0.315 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.3 122.61 32.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.445 ' CD2' ' CD2' ' D' ' 26' ' ' PHE . 41.7 m-85 -110.46 135.28 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.389 0.614 . . . . 0.0 112.438 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -106.52 132.57 52.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . 0.531 HG12 HD12 ' C' ' 7' ' ' LEU . 21.3 t -142.21 127.51 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 22.6 mt -98.45 125.21 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.788 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.33 -0.262 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.448 ' O ' ' HB ' ' C' ' 25' ' ' THR . 1.9 m-20 . . . . . 0 CA--C 1.519 -0.217 0 CA-C-O 121.302 0.572 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.419 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -49.36 -43.78 44.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.031 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.54 -29.54 68.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.302 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.636 ' O ' HG23 ' C' ' 29' ' ' VAL . 71.6 m -62.7 -39.87 95.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.65 ' O ' HG23 ' C' ' 30' ' ' VAL . 19.4 t80 -67.33 -43.85 80.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.804 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 2.6 tt0 -58.35 -53.96 52.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.347 -179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -68.22 -46.66 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 60.0 t -63.31 -43.31 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' C' ' 26' ' ' PHE . 48.7 t -72.13 -43.93 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.51 -46.37 86.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -64.34 -44.65 90.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.341 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.622 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.1 t80 -67.65 -47.72 68.74 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.776 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 40.2 m-85 -74.37 -32.74 62.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -30.48 63.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.05 0.452 . . . . 0.0 110.703 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.58 -18.35 58.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.87 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.737 ' OD1' HG23 ' C' ' 39' ' ' VAL . 20.5 p30 -105.89 -21.95 13.04 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.54 13.91 1.8 Allowed Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.959 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.737 HG23 ' OD1' ' C' ' 37' ' ' ASN . 25.2 t -89.16 143.37 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.323 0.561 . . . . 0.0 110.794 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.92 -179.43 8.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.81 -145.14 18.2 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.407 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -147.8 154.73 40.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.895 0.379 . . . . 0.0 111.073 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . 0.453 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 89.7 m95 -73.81 118.64 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -110.44 141.48 43.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.451 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -70.19 141.07 52.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.484 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.25 161.01 31.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.989 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.8 127.48 32.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.53 143.77 28.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.764 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 6.7 m -140.57 156.37 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.23 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -121.74 123.89 42.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 0.0 111.309 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -107.03 130.95 54.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.347 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.48 119.42 23.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.349 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 86.4 m -94.36 124.02 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.395 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.408 HG12 ' N ' ' C' ' 55' ' ' THR . 6.2 t -70.99 156.14 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.945 0.402 . . . . 0.0 111.2 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.408 ' N ' HG12 ' C' ' 54' ' ' VAL . 44.9 m -149.73 -67.53 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.88 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.804 0.335 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -89.29 122.52 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.431 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 41.4 m-85 -110.39 135.22 51.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.397 0.617 . . . . 0.0 112.32 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -106.57 132.63 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.705 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . 0.549 HG12 HD12 ' D' ' 7' ' ' LEU . 21.3 t -142.2 127.53 17.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 22.5 mt -98.46 125.21 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.345 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.776 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.9 mp . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' D' ' 25' ' ' THR . 1.9 m-20 . . . . . 0 CA--C 1.519 -0.247 0 CA-C-O 121.266 0.555 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.415 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -49.36 -43.82 44.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.114 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.46 68.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.382 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.636 ' O ' HG23 ' D' ' 29' ' ' VAL . 75.0 m -62.59 -40.03 95.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.65 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.3 t80 -67.28 -43.8 80.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.723 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 2.6 tt0 -58.31 -53.98 52.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.294 -179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -68.32 -46.64 69.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.636 HG23 ' O ' ' D' ' 25' ' ' THR . 60.3 t -63.43 -43.29 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' D' ' 26' ' ' PHE . 48.6 t -72.19 -43.77 65.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.67 -46.28 86.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -64.26 -44.58 91.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.433 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.2 t80 -67.83 -47.71 68.23 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 40.5 m-85 -74.25 -32.75 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -30.34 63.91 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.011 0.434 . . . . 0.0 110.751 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.69 -18.28 58.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.946 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.735 ' OD1' HG23 ' D' ' 39' ' ' VAL . 20.5 p30 -105.88 -21.95 13.04 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.66 13.76 1.79 Allowed Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.134 -1.031 . . . . 0.0 113.936 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.735 HG23 ' OD1' ' D' ' 37' ' ' ASN . 25.0 t -89.04 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.354 0.577 . . . . 0.0 110.861 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.81 -179.23 7.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 111.219 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.68 -145.05 18.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -147.88 154.68 40.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 110.978 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . 0.461 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 89.7 m95 -73.86 118.68 17.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.198 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -110.35 141.53 43.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.412 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -70.21 141.15 52.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.511 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.17 160.94 31.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.993 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -65.67 127.33 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.36 144.0 26.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.775 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -140.85 156.27 46.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.284 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -121.68 123.89 42.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.004 0.43 . . . . 0.0 111.3 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -107.12 130.91 54.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.443 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -80.36 119.45 23.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.391 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.9 m -94.51 124.05 38.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.4 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.404 HG12 ' N ' ' D' ' 55' ' ' THR . 6.1 t -70.97 156.02 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 111.152 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.404 ' N ' HG12 ' D' ' 54' ' ' VAL . 43.1 m -149.5 -67.63 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.863 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.35 124.4 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.423 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.516 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 39.2 m-85 -108.96 125.84 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.22 0.533 . . . . 0.0 111.945 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -106.65 120.99 43.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.503 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.18 129.36 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.726 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.1 mt -92.69 117.13 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.886 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.66 HD11 ' CE1' ' B' ' 34' ' ' PHE . 5.5 tp . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 120.795 0.331 . . . . 0.0 111.013 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 25' ' ' THR . 8.1 t70 . . . . . 0 CA--C 1.521 -0.155 0 CA-C-O 121.384 0.611 . . . . 0.0 111.672 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.52 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -53.51 -42.14 67.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.17 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.31 -32.17 73.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.9 m -62.89 -36.26 82.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.118 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 30' ' ' VAL . 29.5 t80 -64.72 -47.22 79.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.789 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.98 -49.51 77.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.875 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.0 -49.91 63.87 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.652 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 62.3 t -63.93 -43.3 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.0 t -69.76 -45.54 77.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.055 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -65.11 -44.83 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.016 0.436 . . . . 0.0 110.572 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -64.8 -43.67 92.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.424 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.645 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.23 -46.72 72.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.663 ' CE1' HD11 ' B' ' 7' ' ' LEU . 30.5 m-85 -78.33 -32.01 48.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -29.27 39.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 111.061 179.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -61.53 -17.34 54.42 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.961 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.501 ' OD1' HG23 ' A' ' 39' ' ' VAL . 10.4 p30 -103.69 -19.08 14.45 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.53 15.43 2.21 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.197 -1.001 . . . . 0.0 113.914 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.501 HG23 ' OD1' ' A' ' 37' ' ' ASN . 28.3 t -89.16 143.26 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 117.128 0.464 . . . . 0.0 110.873 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -154.54 -178.87 7.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.416 . . . . 0.0 111.169 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.31 -144.32 18.0 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.286 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.48 156.77 42.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -73.19 119.36 17.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -112.73 140.22 47.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.602 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -71.87 146.25 48.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.725 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.69 155.77 40.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -67.02 137.2 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 137.36 45.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.08 0.467 . . . . 0.0 111.767 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.3 m -132.29 156.49 46.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.579 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 147.21 41.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.937 0.399 . . . . 0.0 111.138 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -141.01 125.36 17.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.181 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.34 117.31 21.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.482 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.2 m -92.57 123.4 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.257 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.67 155.97 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 111.072 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.4 m -147.93 -70.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.918 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.34 124.45 33.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.52 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 39.2 m-85 -108.94 125.9 52.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.224 0.535 . . . . 0.0 111.967 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -106.65 120.86 43.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.495 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.09 129.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.03 0.443 . . . . 0.0 111.629 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 33.7 mt -92.66 117.18 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.87 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.663 HD11 ' CE1' ' A' ' 34' ' ' PHE . 5.5 tp . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.371 . . . . 0.0 110.992 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' B' ' 25' ' ' THR . 8.1 t70 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 121.281 0.562 . . . . 0.0 111.73 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.516 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -53.57 -41.99 67.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.269 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.35 -32.2 73.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.511 ' O ' HG23 ' B' ' 29' ' ' VAL . 30.2 m -63.0 -36.1 82.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.126 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.609 ' O ' HG23 ' B' ' 30' ' ' VAL . 29.3 t80 -64.77 -47.27 78.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.768 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.97 -49.49 77.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.884 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.02 -49.86 63.93 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.645 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 63.1 t -64.06 -43.25 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 26' ' ' PHE . 61.5 t -69.84 -45.48 76.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.367 -0.378 . . . . 0.0 112.005 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -65.15 -44.82 87.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 110.566 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -64.78 -43.6 92.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.541 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.652 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.7 t80 -67.29 -46.74 72.68 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.66 ' CE1' HD11 ' A' ' 7' ' ' LEU . 30.6 m-85 -78.24 -31.95 49.46 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -29.26 40.53 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.95 0.405 . . . . 0.0 111.07 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -61.61 -17.33 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.93 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.5 ' OD1' HG23 ' B' ' 39' ' ' VAL . 10.4 p30 -103.72 -18.93 14.49 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.35 15.5 2.24 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.903 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.5 HG23 ' OD1' ' B' ' 37' ' ' ASN . 28.7 t -89.11 143.21 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.169 0.485 . . . . 0.0 110.892 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -154.63 -178.95 7.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.402 . . . . 0.0 111.22 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.42 -144.36 17.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.239 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -149.43 156.71 42.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -73.1 119.39 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -112.74 140.23 47.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.611 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.88 146.3 47.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.721 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.76 155.72 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -66.94 137.1 56.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.629 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.73 137.3 44.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.014 0.435 . . . . 0.0 111.798 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.1 m -132.29 156.46 46.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.673 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.78 147.39 41.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.971 0.415 . . . . 0.0 111.133 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 42.3 m -141.1 125.35 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.201 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.34 117.32 21.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.507 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -92.47 123.34 35.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.341 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.404 HG12 ' N ' ' B' ' 55' ' ' THR . 5.3 t -70.68 156.19 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 111.047 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.404 ' N ' HG12 ' B' ' 54' ' ' VAL . 69.5 m -148.1 -69.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.936 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.781 0.325 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.3 124.46 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.34 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.498 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 39.1 m-85 -109.07 125.85 52.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.361 0.601 . . . . 0.0 111.965 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -106.67 120.86 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.51 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.07 129.38 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.647 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.3 mt -92.78 117.19 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.831 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.65 HD11 ' CE1' ' D' ' 34' ' ' PHE . 5.5 tp . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.015 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.442 ' O ' ' HB ' ' C' ' 25' ' ' THR . 8.1 t70 . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 121.344 0.592 . . . . 0.0 111.587 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.503 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -53.34 -42.05 66.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.161 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.21 73.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.503 ' O ' HG23 ' C' ' 29' ' ' VAL . 32.1 m -62.9 -36.25 82.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.122 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.61 ' O ' HG23 ' C' ' 30' ' ' VAL . 29.0 t80 -64.64 -47.31 79.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.861 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.93 -49.49 77.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.878 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.07 -49.82 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 63.2 t -64.04 -43.33 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.61 HG23 ' O ' ' C' ' 26' ' ' PHE . 60.7 t -69.76 -45.46 77.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.055 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . 0.406 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 76.8 tttt -65.17 -44.86 87.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.517 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -64.7 -43.6 92.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.594 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.7 t80 -67.34 -46.77 72.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.655 ' CE1' HD11 ' D' ' 7' ' ' LEU . 30.4 m-85 -78.25 -31.92 49.41 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -53.88 -29.25 40.76 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.113 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -61.53 -17.37 54.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.899 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.502 ' OD1' HG23 ' C' ' 39' ' ' VAL . 10.4 p30 -103.72 -18.91 14.5 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.41 15.5 2.23 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.913 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.502 HG23 ' OD1' ' C' ' 37' ' ' ASN . 28.5 t -89.15 143.14 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 117.142 0.471 . . . . 0.0 110.841 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -154.59 -178.79 7.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.944 0.402 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.25 -144.37 18.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.216 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.47 156.65 42.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.381 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -73.09 119.37 17.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 80.7 p -112.7 140.1 47.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.582 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.84 146.34 48.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.708 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.81 155.75 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.96 137.14 56.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.626 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 137.2 45.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.801 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -132.2 156.49 46.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.583 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 147.34 41.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.025 0.44 . . . . 0.0 111.085 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 41.5 m -141.15 125.35 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.152 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -81.26 117.37 21.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.552 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 87.4 m -92.55 123.37 35.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.221 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.4 HG12 ' N ' ' C' ' 55' ' ' THR . 5.3 t -70.62 156.23 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.4 ' N ' HG12 ' C' ' 54' ' ' VAL . 67.4 m -148.13 -70.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.885 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.807 0.337 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.33 124.43 33.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.503 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 38.9 m-85 -108.99 125.9 52.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.227 0.537 . . . . 0.0 111.96 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -106.69 120.98 43.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.508 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.15 129.32 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.438 . . . . 0.0 111.684 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 33.3 mt -92.66 117.22 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.965 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.655 HD11 ' CE1' ' C' ' 34' ' ' PHE . 5.5 tp . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.339 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' D' ' 25' ' ' THR . 7.9 t70 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.386 0.612 . . . . 0.0 111.76 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.498 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -53.54 -42.02 67.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.172 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.29 73.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.507 ' O ' HG23 ' D' ' 29' ' ' VAL . 32.7 m -62.79 -36.23 82.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.191 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.616 ' O ' HG23 ' D' ' 30' ' ' VAL . 29.3 t80 -64.77 -47.19 79.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.793 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.03 -49.5 77.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.811 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -66.97 -49.95 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 62.5 t -63.9 -43.35 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.616 HG23 ' O ' ' D' ' 26' ' ' PHE . 60.9 t -69.74 -45.61 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.022 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . 0.407 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 76.8 tttt -65.11 -44.87 87.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.921 0.391 . . . . 0.0 110.493 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -64.69 -43.64 92.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.516 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.7 t80 -67.36 -46.64 72.74 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.65 ' CE1' HD11 ' C' ' 7' ' ' LEU . 30.4 m-85 -78.33 -31.94 48.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 0.9 OUTLIER -53.84 -29.25 40.2 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 179.074 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -61.54 -17.26 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.991 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.49 ' OD1' HG23 ' D' ' 39' ' ' VAL . 10.4 p30 -103.83 -18.93 14.45 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.41 15.51 2.22 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.241 -0.981 . . . . 0.0 113.914 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.49 HG23 ' OD1' ' D' ' 37' ' ' ASN . 28.6 t -89.19 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 117.205 0.502 . . . . 0.0 110.873 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -154.52 -178.77 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.199 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.25 -144.4 18.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.304 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.41 156.65 42.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -73.09 119.38 17.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.0 p -112.68 140.13 47.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.61 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.8 146.32 48.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.71 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.83 155.75 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.98 137.2 56.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.78 137.09 45.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.782 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -132.13 156.41 46.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.89 147.29 41.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.964 0.412 . . . . 0.0 111.145 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 42.9 m -141.09 125.4 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.156 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -81.32 117.36 21.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.478 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -92.6 123.42 35.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.252 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.403 HG12 ' N ' ' D' ' 55' ' ' THR . 5.3 t -70.73 156.11 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 111.029 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.403 ' N ' HG12 ' D' ' 54' ' ' VAL . 63.5 m -147.99 -70.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.984 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.983 0.42 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.68 ' HG3' HG23 ' D' ' 49' ' ' THR . 9.8 pt20 -95.6 127.42 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.482 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.508 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 36.0 m-85 -107.93 130.99 54.99 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.273 0.559 . . . . 0.0 112.339 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -107.18 124.26 49.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.855 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.23 125.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.304 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -95.9 117.17 39.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.523 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.961 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' A' ' 25' ' ' THR . 5.8 m-20 . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 121.326 0.584 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.47 -43.04 64.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.148 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.33 74.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.999 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 29' ' ' VAL . 17.2 m -62.72 -38.95 92.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.212 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 30' ' ' VAL . 72.5 t80 -64.19 -51.39 63.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.852 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 59.1 mt-10 -55.62 -49.39 72.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.842 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -67.65 -48.79 65.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 25' ' ' THR . 59.5 t -64.38 -43.48 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.1 t -68.4 -43.84 83.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.67 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -65.87 -44.68 84.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.897 0.379 . . . . 0.0 110.787 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.23 -41.6 94.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.324 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.497 ' HZ ' HG22 ' B' ' 25' ' ' THR . 3.8 t80 -68.46 -48.88 63.36 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' HB3' HG21 ' A' ' 39' ' ' VAL . 26.6 m-85 -77.55 -30.76 52.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.2 -28.1 50.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.949 0.404 . . . . 0.0 111.043 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.11 -17.33 52.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.066 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.44 ' OD1' HG23 ' A' ' 39' ' ' VAL . 12.3 p30 -104.47 -15.75 15.28 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.61 16.62 2.48 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.641 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' A' ' 34' ' ' PHE . 20.5 t -89.4 143.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 117.084 0.442 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -155.81 -178.93 7.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.23 -144.29 18.01 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.318 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -150.34 157.38 43.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 96.5 m95 -74.05 116.14 14.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.103 0.478 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.0 p -109.71 140.97 42.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.64 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -71.6 142.52 49.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.776 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 160.04 33.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.71 134.76 52.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.62 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.28 139.75 41.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.088 0.47 . . . . 0.0 111.874 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.653 HG23 ' HG3' ' D' ' 2' ' ' GLN . 11.2 m -130.01 156.42 44.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.692 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -125.45 119.79 29.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.975 0.417 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.9 m -109.97 130.79 55.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.453 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -80.63 115.05 19.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.383 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -89.69 123.17 33.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.352 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.34 155.05 7.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 111.101 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 m -147.1 -69.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.895 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.925 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.0 mmm . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.925 0.393 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.649 ' HG3' HG23 ' C' ' 49' ' ' THR . 9.9 pt20 -95.59 127.63 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.402 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.505 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 36.4 m-85 -108.13 130.81 55.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.249 0.547 . . . . 0.0 112.435 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -107.01 124.09 49.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.957 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.18 125.32 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 mt -95.71 117.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.6 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' B' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.915 179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.419 ' O ' ' HB ' ' B' ' 25' ' ' THR . 5.3 m-20 . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 121.282 0.563 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.508 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -52.28 -43.15 64.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.58 -33.47 75.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.639 ' O ' HG23 ' B' ' 29' ' ' VAL . 17.4 m -62.69 -39.02 92.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.205 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.647 ' O ' HG23 ' B' ' 30' ' ' VAL . 72.8 t80 -64.23 -51.12 65.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.836 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.403 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 60.0 mt-10 -55.92 -49.25 73.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.824 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -67.74 -48.69 65.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 25' ' ' THR . 59.9 t -64.51 -43.35 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.647 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.7 t -68.55 -43.63 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.615 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -65.92 -44.8 84.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.748 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -65.19 -41.44 94.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.4 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.498 ' HZ ' HG22 ' A' ' 25' ' ' THR . 3.8 t80 -68.57 -48.91 63.01 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.519 ' HB3' HG21 ' B' ' 39' ' ' VAL . 26.9 m-85 -77.54 -30.68 52.91 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.23 -28.24 51.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.967 0.413 . . . . 0.0 111.062 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -60.93 -17.42 51.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.142 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.437 ' OD1' HG23 ' B' ' 39' ' ' VAL . 12.2 p30 -104.59 -15.66 15.24 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.54 16.75 2.48 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.348 -0.929 . . . . 0.0 113.616 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 34' ' ' PHE . 20.6 t -89.55 143.22 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 117.12 0.46 . . . . 0.0 111.14 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.73 -178.55 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.95 -144.47 18.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.207 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -150.35 157.38 42.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.811 0.339 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 96.6 m95 -74.1 116.24 14.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.173 0.511 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 49.3 p -109.91 140.97 43.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.574 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.51 142.5 50.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.792 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 159.79 33.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.974 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.37 134.22 52.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.79 139.84 38.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 111.91 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.644 HG23 ' HG3' ' C' ' 2' ' ' GLN . 11.1 m -130.19 156.52 44.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -125.45 119.86 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 29.4 m -110.02 130.81 55.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.525 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -80.7 115.07 20.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.338 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -89.62 123.24 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.437 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.34 155.25 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.925 0.393 . . . . 0.0 111.065 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.5 m -147.34 -69.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.981 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmm . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.974 0.416 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.644 ' HG3' HG23 ' B' ' 49' ' ' THR . 9.8 pt20 -95.68 127.55 41.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.438 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.552 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 36.3 m-85 -108.02 130.89 55.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.31 0.576 . . . . 0.0 112.314 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -107.04 124.01 49.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.05 125.38 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.269 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 37.0 mt -95.84 117.16 39.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.491 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' C' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.078 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' C' ' 25' ' ' THR . 5.1 m-20 . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 121.203 0.525 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.53 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -52.43 -43.2 64.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.177 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.22 74.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.635 ' O ' HG23 ' C' ' 29' ' ' VAL . 16.9 m -62.92 -38.95 93.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.195 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.653 ' O ' HG23 ' C' ' 30' ' ' VAL . 73.0 t80 -64.25 -51.1 65.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.791 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -55.8 -49.4 73.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.829 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -67.73 -48.53 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.635 HG23 ' O ' ' C' ' 25' ' ' THR . 58.7 t -64.46 -43.5 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.653 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.6 t -68.49 -43.62 83.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.658 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -66.06 -44.68 83.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.766 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -65.25 -41.4 94.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.315 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.532 ' HZ ' HG22 ' D' ' 25' ' ' THR . 3.8 t80 -68.54 -49.09 62.18 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.512 ' HB3' HG21 ' C' ' 39' ' ' VAL . 26.8 m-85 -77.44 -30.82 53.55 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -28.19 51.16 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 122.019 -0.426 . . . . 0.0 111.031 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.91 -17.52 51.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.105 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.437 ' OD1' HG23 ' C' ' 39' ' ' VAL . 12.3 p30 -104.58 -15.45 15.31 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.43 16.62 2.52 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.298 -0.954 . . . . 0.0 113.667 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' C' ' 34' ' ' PHE . 21.1 t -89.48 143.11 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 117.086 0.443 . . . . 0.0 111.045 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -155.8 -179.39 8.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.73 -144.17 17.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.209 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -150.48 157.48 43.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -74.18 116.22 14.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 49.9 p -109.9 140.97 43.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.69 142.44 49.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.745 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.2 160.0 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.88 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.67 134.54 52.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.482 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.23 140.19 39.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.961 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . 0.649 HG23 ' HG3' ' B' ' 2' ' ' GLN . 10.3 m -130.36 156.53 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.67 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -125.51 119.66 28.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.402 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -109.87 130.67 55.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -80.69 115.23 20.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.401 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -89.82 123.28 33.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.408 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.41 155.19 7.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 65.5 m -147.34 -69.26 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.888 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mmm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.905 0.384 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . 0.653 ' HG3' HG23 ' A' ' 49' ' ' THR . 9.6 pt20 -95.76 127.35 41.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.51 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.53 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 36.6 m-85 -107.93 130.85 55.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.219 0.533 . . . . 0.0 112.336 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -107.04 124.11 49.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.911 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.09 125.48 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.239 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 mt -95.9 117.15 39.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.584 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.448 HD22 ' HB2' ' D' ' 26' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.983 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.432 ' O ' ' HB ' ' D' ' 25' ' ' THR . 5.6 m-20 . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 121.542 0.687 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.552 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -52.57 -43.38 65.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.179 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.4 75.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.63 ' O ' HG23 ' D' ' 29' ' ' VAL . 17.1 m -62.8 -38.82 92.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.202 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.658 ' O ' HG23 ' D' ' 30' ' ' VAL . 72.9 t80 -64.34 -51.23 64.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.877 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -55.63 -49.4 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.867 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -67.78 -48.67 65.71 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.63 HG23 ' O ' ' D' ' 25' ' ' THR . 60.1 t -64.32 -43.42 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.658 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.0 t -68.48 -43.88 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.59 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -65.86 -44.77 84.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.915 0.388 . . . . 0.0 110.728 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -65.2 -41.37 94.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.333 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.539 ' HZ ' HG22 ' C' ' 25' ' ' THR . 3.8 t80 -68.53 -48.93 63.06 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.51 ' HB3' HG21 ' D' ' 39' ' ' VAL . 26.9 m-85 -77.58 -30.87 52.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.07 -28.18 50.41 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.978 0.418 . . . . 0.0 111.101 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -60.98 -17.42 51.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.059 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.441 ' OD1' HG23 ' D' ' 39' ' ' VAL . 12.2 p30 -104.61 -15.66 15.23 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.58 16.56 2.5 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 120.289 -0.957 . . . . 0.0 113.591 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.51 HG21 ' HB3' ' D' ' 34' ' ' PHE . 20.6 t -89.32 143.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 117.07 0.435 . . . . 0.0 111.124 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -155.87 -179.11 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.195 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.41 -144.34 17.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.21 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -150.3 157.27 42.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -74.0 116.26 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.098 0.475 . . . . 0.0 111.026 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -109.9 141.17 43.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.563 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -71.77 142.59 49.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.807 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.31 159.98 33.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.866 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.44 134.22 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.55 139.26 38.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 111.848 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . 0.68 HG23 ' HG3' ' A' ' 2' ' ' GLN . 10.6 m -129.8 156.54 44.17 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.729 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -125.7 119.57 28.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.931 0.396 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 28.9 m -109.82 130.76 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.69 115.29 20.12 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.413 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -89.78 123.39 33.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.399 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.54 155.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.886 0.374 . . . . 0.0 111.085 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 67.0 m -147.26 -69.25 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.775 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.009 179.971 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.896 0.379 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -89.94 123.71 34.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.543 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.662 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 37.5 m-85 -110.3 132.35 54.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.457 0.646 . . . . 0.0 112.192 -179.56 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -106.4 126.19 51.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.758 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.25 121.64 9.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.05 117.16 38.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.68 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.434 HD13 ' HB2' ' A' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.542 ' O ' ' HB ' ' A' ' 25' ' ' THR . 14.9 t70 . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 121.251 0.548 . . . . 0.0 112.124 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -47.08 -41.68 17.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.278 179.522 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.54 66.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 179.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 29' ' ' VAL . 38.2 m -61.25 -38.23 85.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.425 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.713 ' O ' HG23 ' A' ' 30' ' ' VAL . 30.8 t80 -69.43 -49.47 54.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.753 178.639 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -53.37 -52.29 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.953 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -66.15 -48.9 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.723 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 66.2 t -62.55 -41.08 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.5 t -70.26 -45.46 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -63.65 -45.56 89.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.022 0.439 . . . . 0.0 110.403 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.06 -46.74 86.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.153 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.724 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 5.0 t80 -67.44 -46.39 73.25 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.529 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 35.1 m-85 -74.53 -33.05 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -31.1 61.99 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.846 178.503 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -61.9 -18.57 60.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.059 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.712 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.7 p30 -105.46 -21.46 13.21 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.379 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.57 14.93 1.85 Allowed Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.071 -1.062 . . . . 0.0 114.099 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.712 HG23 ' OD1' ' A' ' 37' ' ' ASN . 26.1 t -89.68 143.17 11.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 117.333 0.566 . . . . 0.0 110.854 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -155.08 -177.52 6.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.911 0.386 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.58 -145.08 18.5 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.341 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -149.07 156.39 42.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.343 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -72.76 117.76 14.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.459 . . . . 0.0 111.239 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.3 p -110.26 139.67 45.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.436 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.24 142.84 52.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.861 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.84 158.27 36.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.63 130.3 42.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.494 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 142.22 29.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.823 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.57 156.41 46.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.504 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -127.64 124.03 37.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.105 0.479 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.74 134.19 50.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.207 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -80.87 118.04 22.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.542 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.5 m -91.88 121.32 33.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.341 179.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 55' ' ' THR . 6.5 t -70.93 156.7 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.033 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 54' ' ' VAL . 90.6 m -148.17 -72.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.021 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.926 0.393 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.03 123.73 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.608 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.683 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.6 m-85 -110.27 132.27 54.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.419 0.628 . . . . 0.0 112.102 -179.382 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -106.39 126.17 51.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.799 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.26 121.63 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 mt -95.22 117.18 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.679 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' B' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.539 ' O ' ' HB ' ' B' ' 25' ' ' THR . 15.1 t70 . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 121.353 0.597 . . . . 0.0 111.973 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.662 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -47.0 -41.64 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.164 179.471 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -27.59 66.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.29 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.651 ' O ' HG23 ' B' ' 29' ' ' VAL . 37.4 m -61.19 -38.26 85.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.358 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . 0.721 ' O ' HG23 ' B' ' 30' ' ' VAL . 31.2 t80 -69.43 -49.55 54.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.742 178.677 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.33 -52.28 59.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.996 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -66.04 -49.01 69.16 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.724 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 67.5 t -62.56 -41.1 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.5 t -70.27 -45.57 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.256 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.404 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 67.3 tttt -63.54 -45.61 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.057 0.456 . . . . 0.0 110.42 179.578 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.0 -46.8 85.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.15 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.723 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.0 t80 -67.42 -46.32 73.51 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.525 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 34.6 m-85 -74.68 -33.04 62.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -55.68 -30.98 61.99 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 178.587 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -61.97 -18.49 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.016 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.712 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.7 p30 -105.47 -21.55 13.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.59 14.99 1.84 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.056 -1.069 . . . . 0.0 114.032 179.111 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.712 HG23 ' OD1' ' B' ' 37' ' ' ASN . 27.0 t -89.66 143.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 117.372 0.586 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -155.18 -177.67 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.71 -145.0 18.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.257 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -149.06 156.48 42.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.374 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -72.8 117.72 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.209 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 80.0 p -110.29 139.64 45.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.457 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.27 142.77 52.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.85 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.83 158.34 36.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.57 130.39 43.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.551 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.96 142.19 30.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 111.828 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.38 156.3 47.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.488 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -127.58 123.93 36.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.108 0.48 . . . . 0.0 111.391 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -106.67 134.17 50.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.181 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.03 118.08 22.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 111.46 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 94.2 m -91.68 121.37 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.309 179.119 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.419 HG12 ' N ' ' B' ' 55' ' ' THR . 6.6 t -71.19 156.82 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.997 -179.77 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.419 ' N ' HG12 ' B' ' 54' ' ' VAL . 90.9 m -148.27 -72.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.967 179.991 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.861 0.362 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.04 123.74 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.51 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 3' ' ' TYR . . . . . 0.683 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 37.7 m-85 -110.22 132.29 54.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.421 0.629 . . . . 0.0 112.169 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -106.4 126.27 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.746 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.3 121.68 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mt -95.2 117.24 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.655 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' C' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.841 178.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 22' ' ' ASP . . . . . 0.542 ' O ' ' HB ' ' C' ' 25' ' ' THR . 15.0 t70 . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 121.355 0.598 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 23' ' ' ALA . . . . . 0.669 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -47.02 -41.77 17.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.253 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.76 -27.6 66.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.242 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.641 ' O ' HG23 ' C' ' 29' ' ' VAL . 37.4 m -61.21 -38.24 85.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.403 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . 0.722 ' O ' HG23 ' C' ' 30' ' ' VAL . 30.9 t80 -69.43 -49.58 53.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.701 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -53.32 -52.25 59.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.952 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -66.04 -49.11 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 29' ' ' VAL . . . . . 0.71 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 66.5 t -62.52 -41.05 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.722 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.2 t -70.28 -45.45 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.246 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -63.61 -45.57 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.993 0.425 . . . . 0.0 110.379 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -63.16 -46.74 85.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.17 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 33' ' ' PHE . . . . . 0.729 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.0 t80 -67.34 -46.28 73.87 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 34' ' ' PHE . . . . . 0.52 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 35.1 m-85 -74.57 -33.15 62.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.64 -31.01 61.96 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.013 0.435 . . . . 0.0 110.831 178.585 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.95 -18.44 60.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.099 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.724 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.6 p30 -105.49 -21.56 13.19 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.66 14.87 1.85 Allowed Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.057 -1.068 . . . . 0.0 114.101 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.724 HG23 ' OD1' ' C' ' 37' ' ' ASN . 26.6 t -89.64 143.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 117.362 0.581 . . . . 0.0 110.814 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -155.09 -177.62 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.64 -145.01 18.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.332 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -149.07 156.44 42.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -72.78 117.8 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 79.2 p -110.42 139.77 45.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.403 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.37 142.88 52.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.807 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.85 158.31 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.763 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.58 130.4 43.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.549 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 142.19 29.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.835 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -139.45 156.4 46.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.444 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -127.62 123.88 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.065 0.459 . . . . 0.0 111.466 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -106.73 134.14 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.261 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -80.91 117.96 21.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.677 0.275 . . . . 0.0 111.54 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -91.72 121.29 33.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.275 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . 0.418 HG12 ' N ' ' C' ' 55' ' ' THR . 6.5 t -70.94 156.88 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 111.065 -179.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 55' ' ' THR . . . . . 0.418 ' N ' HG12 ' C' ' 54' ' ' VAL . 90.9 m -148.28 -72.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.984 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.0 123.78 34.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.591 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 3' ' ' TYR . . . . . 0.669 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.9 m-85 -110.33 132.34 54.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.444 0.64 . . . . 0.0 112.211 -179.558 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -106.47 126.28 52.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.768 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.32 121.56 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.1 117.21 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.637 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' D' ' 26' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.846 178.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 22' ' ' ASP . . . . . 0.54 ' O ' ' HB ' ' D' ' 25' ' ' THR . 15.2 t70 . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 121.36 0.6 . . . . 0.0 111.931 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 23' ' ' ALA . . . . . 0.683 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -47.11 -41.77 17.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.215 179.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.73 -27.55 66.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 25' ' ' THR . . . . . 0.629 ' O ' HG23 ' D' ' 29' ' ' VAL . 36.9 m -61.27 -38.18 85.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.412 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 26' ' ' PHE . . . . . 0.708 ' O ' HG23 ' D' ' 30' ' ' VAL . 31.2 t80 -69.47 -49.54 53.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.687 178.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.36 -52.21 59.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.031 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -66.09 -49.04 68.94 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 29' ' ' VAL . . . . . 0.729 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 65.7 t -62.54 -41.07 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.708 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.5 t -70.26 -45.61 74.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -63.47 -45.62 89.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.462 . . . . 0.0 110.47 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -62.97 -46.81 85.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.198 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 33' ' ' PHE . . . . . 0.71 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.0 t80 -67.35 -46.43 73.42 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 34' ' ' PHE . . . . . 0.514 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 35.0 m-85 -74.63 -32.98 62.46 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -31.01 62.15 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.765 178.551 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -61.99 -18.42 60.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.066 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 37' ' ' ASN . . . . . 0.713 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.8 p30 -105.6 -21.33 13.22 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.466 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.45 15.07 1.86 Allowed Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.065 -1.064 . . . . 0.0 114.131 179.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.713 HG23 ' OD1' ' D' ' 37' ' ' ASN . 26.8 t -89.78 143.18 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 117.36 0.58 . . . . 0.0 110.809 179.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -155.05 -177.59 6.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 111.106 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.67 -145.07 18.48 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.342 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -149.17 156.44 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -72.74 117.76 14.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.247 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 80.2 p -110.37 139.64 45.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.438 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.29 142.73 52.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.806 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.79 158.27 36.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.58 130.29 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.82 142.24 29.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.816 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.59 156.38 46.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -127.56 123.98 37.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.532 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.77 134.08 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.206 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -80.94 118.08 22.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.482 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -91.78 121.32 33.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.275 179.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 54' ' ' VAL . . . . . 0.417 HG12 ' N ' ' D' ' 55' ' ' THR . 6.4 t -71.0 156.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.018 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 55' ' ' THR . . . . . 0.417 ' N ' HG12 ' D' ' 54' ' ' VAL . 91.3 m -148.23 -72.19 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.883 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 121.023 0.44 . . . . 1.0 111.434 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.6 123.57 35.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.614 -0.721 . . . . 1.77 110.362 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.537 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 36.3 m-85 -108.38 131.02 55.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.377 0.608 . . . . 0.28 111.553 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -105.57 125.07 50.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.921 -1.036 . . . . 1.62 110.509 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.556 HG12 HD12 ' A' ' 7' ' ' LEU . 17.0 t -142.43 123.94 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.015 0.436 . . . . 0.34 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' B' ' 1' ' ' MET . 16.8 mt -92.94 117.42 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.851 -0.613 . . . . 0.49 110.547 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.771 HD22 ' HB2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -122.88 112.47 17.9 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.599 -0.889 . . . . 0.94 108.599 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.51 ' O ' ' N ' ' A' ' 10' ' ' LYS . 38.0 t30 -159.26 95.25 1.24 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.06 -0.348 . . . . 2.49 110.06 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.29 65.66 0.03 OUTLIER Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.405 -0.903 . . . . 2.69 112.76 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' N ' ' O ' ' A' ' 8' ' ' ASN . 12.8 tttt -75.4 154.88 36.9 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.974 0.416 . . . . 5.86 110.816 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 t -141.54 138.44 32.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.995 -0.548 . . . . 4.78 110.672 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -146.42 59.98 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 6.88 110.955 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.04 -78.02 0.11 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.964 0.887 . . . . 8.89 110.862 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.69 -43.18 0.24 Allowed Glycine 0 C--N 1.298 -1.552 0 CA-C-N 114.033 -1.439 . . . . 6.96 112.814 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -95.08 89.37 5.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 7.82 111.217 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 17' ' ' THR . 8.9 t -73.38 -44.86 57.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 7.21 110.711 179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 16' ' ' THR . 0.2 OUTLIER 68.47 -68.84 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.033 -0.531 . . . . 6.02 111.025 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.4 p -157.19 -175.19 5.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 5.17 110.917 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -135.78 -168.69 2.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 6.2 110.586 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' O ' HG21 ' A' ' 25' ' ' THR . . . -165.64 -54.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.283 0.563 . . . . 1.72 109.996 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.677 HG12 ' CE1' ' B' ' 34' ' ' PHE . 12.7 m -82.53 61.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.205 -0.907 . . . . 1.18 110.774 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' A' ' 25' ' ' THR . 9.4 t0 -97.99 145.54 26.39 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.325 0.583 . . . . 1.65 111.067 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.544 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.21 -46.67 65.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.262 -0.881 . . . . 0.31 110.805 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.18 -32.11 73.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.948 -0.569 . . . . 0.34 110.729 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.4 m -64.44 -40.65 96.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.868 -0.606 . . . . 0.38 110.913 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.771 ' HB2' HD22 ' A' ' 7' ' ' LEU . 10.8 t80 -65.59 -50.99 63.05 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.932 -0.576 . . . . 0.37 110.626 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.448 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 62.8 mt-10 -54.75 -49.83 69.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 2.05 111.033 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -66.01 -53.17 42.01 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.32 0.489 . . . . 1.79 112.32 -178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 25' ' ' THR . 63.8 t -64.08 -45.03 97.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 112.182 0.438 . . . . 0.25 112.182 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 26' ' ' PHE . 44.4 t -68.59 -41.21 82.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.26 111.247 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 77.7 tttt -70.69 -46.49 63.04 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.76 -0.376 . . . . 1.39 110.581 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -63.79 -42.36 97.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.527 -0.306 . . . . 1.82 111.122 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 4.7 t80 -64.23 -46.57 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.531 0.567 . . . . 0.3 112.531 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.717 ' HZ ' HD21 ' B' ' 7' ' ' LEU . 36.4 m-85 -78.52 -29.96 46.8 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 113.055 0.761 . . . . 0.57 113.055 -178.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 1.1 m-80 -55.34 -30.7 60.77 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.407 0.622 . . . . 0.32 110.752 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -59.48 -17.44 31.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.927 -1.033 . . . . 1.19 112.022 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' OD1' HG23 ' A' ' 39' ' ' VAL . 13.2 p30 -111.04 -2.39 15.92 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.973 0.731 . . . . 1.63 112.973 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.32 51.56 1.13 Allowed Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.003 -1.094 . . . . 0.26 113.756 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.515 HG23 ' OD1' ' A' ' 37' ' ' ASN . 57.0 t -126.31 139.43 51.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.535 -0.913 . . . . 0.26 108.535 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -150.94 -174.47 4.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.406 0.622 . . . . 1.31 111.525 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.05 -145.61 18.2 Favored Glycine 0 N--CA 1.451 -0.352 0 CA-C-N 115.068 -0.969 . . . . 0.24 112.357 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -148.56 155.16 40.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.095 0.474 . . . . 1.58 111.29 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 94.3 m95 -74.05 114.19 12.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.787 -0.642 . . . . 0.33 110.788 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.6 p -106.93 143.13 35.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.872 -0.604 . . . . 0.19 110.707 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.38 140.57 50.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.557 -0.747 . . . . 0.27 110.551 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.05 160.93 32.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 1.14 110.589 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.29 131.75 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 2.26 111.299 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.49 140.34 34.72 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.186 -0.461 . . . . 0.25 111.473 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.505 HG23 ' HB3' ' D' ' 2' ' ' GLN . 4.5 m -137.26 150.04 47.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.89 -0.596 . . . . 0.28 110.817 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -117.85 137.95 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.986 0.422 . . . . 0.85 110.581 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.2 m -125.95 133.74 51.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.26 110.387 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -80.67 121.94 26.48 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.818 0.342 . . . . 0.32 111.616 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.6 m -99.56 123.33 43.72 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.196 -0.457 . . . . 0.2 110.231 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 55' ' ' THR . 19.5 t -69.52 156.39 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.009 0.433 . . . . 0.28 110.816 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.446 ' N ' HG12 ' A' ' 54' ' ' VAL . 36.4 m -152.49 -71.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.851 -0.613 . . . . 0.34 111.114 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.245 -0.883 . . . . 4.37 110.915 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.457 ' N ' ' HB2' ' A' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 121.135 0.493 . . . . 1.0 111.303 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.82 123.71 35.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.518 -0.765 . . . . 1.77 110.358 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.544 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 36.2 m-85 -108.44 131.17 55.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.442 0.639 . . . . 0.28 111.575 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -105.79 124.93 50.37 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.926 -1.034 . . . . 1.62 110.642 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.585 HG12 HD12 ' B' ' 7' ' ' LEU . 16.5 t -142.29 123.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.054 0.454 . . . . 0.34 111.334 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 1' ' ' MET . 17.4 mt -92.81 117.49 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.894 -0.594 . . . . 0.49 110.594 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.748 HD22 ' HB2' ' B' ' 26' ' ' PHE . 0.5 OUTLIER -125.28 113.32 17.45 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.71 -0.848 . . . . 0.94 108.71 179.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.413 ' HB2' ' N ' ' A' ' 1' ' ' MET . 46.1 t30 -149.96 117.18 6.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.238 0.542 . . . . 2.49 111.948 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.27 40.54 0.12 Allowed Glycine 0 CA--C 1.523 0.562 0 CA-C-N 115.119 -0.946 . . . . 2.61 115.009 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -92.34 109.9 21.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.969 -0.752 . . . . 7.02 108.969 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.436 ' O ' ' N ' ' B' ' 13' ' ' LYS . 1.0 OUTLIER -109.72 -43.95 3.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.92 0.867 . . . . 5.1 111.875 -178.537 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mt 59.87 -76.2 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 113.707 -1.588 . . . . 7.84 111.119 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' B' ' 11' ' ' THR . 0.0 OUTLIER -81.27 157.48 25.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.088 -0.505 . . . . 9.66 110.729 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.35 179.37 32.57 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.532 -0.842 . . . . 6.7 112.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.727 ' OE2' HG23 ' B' ' 17' ' ' THR . 0.0 OUTLIER -115.29 177.93 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 8.17 110.862 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 5.1 t -73.05 131.77 42.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 7.16 110.823 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.727 HG23 ' OE2' ' B' ' 15' ' ' GLU . 0.7 OUTLIER -156.69 -73.9 0.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 5.84 110.61 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 45.0 p -158.18 -179.9 8.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.907 -0.588 . . . . 5.41 110.963 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -153.3 178.88 9.29 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.416 -0.811 . . . . 6.48 109.974 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.648 ' O ' HG21 ' B' ' 25' ' ' THR . . . -158.87 -41.35 0.06 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.195 -0.457 . . . . 2.19 111.496 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.546 HG12 ' CE1' ' A' ' 34' ' ' PHE . 33.9 m -88.32 54.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 113.018 0.748 . . . . 1.18 113.018 -178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' B' ' 25' ' ' THR . 10.8 t0 -98.38 144.6 27.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.18 0.514 . . . . 1.65 109.637 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.537 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.97 -46.54 64.86 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.604 -0.725 . . . . 0.3 111.002 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -31.15 71.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.33 110.772 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.648 HG21 ' O ' ' B' ' 20' ' ' ALA . 74.7 m -64.34 -40.67 96.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.964 -0.562 . . . . 0.38 110.85 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.748 ' HB2' HD22 ' B' ' 7' ' ' LEU . 10.4 t80 -65.92 -50.42 64.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.759 -0.655 . . . . 0.37 110.691 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.433 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 62.9 mt-10 -55.25 -49.38 72.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.854 0.359 . . . . 2.04 110.915 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.24 -52.98 42.42 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.345 0.498 . . . . 1.79 112.345 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.537 HG23 ' O ' ' B' ' 25' ' ' THR . 61.7 t -64.15 -45.24 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 112.076 0.398 . . . . 0.25 112.076 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 26' ' ' PHE . 42.8 t -68.38 -41.54 83.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.05 -0.523 . . . . 0.26 111.349 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.436 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 77.4 tttt -70.62 -46.26 63.68 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.802 -0.359 . . . . 1.38 110.469 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -64.14 -42.89 96.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.767 0.318 . . . . 1.82 111.304 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' B' ' 29' ' ' VAL . 4.6 t80 -63.47 -46.88 84.13 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.657 0.614 . . . . 0.3 112.657 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.713 ' HZ ' HD21 ' A' ' 7' ' ' LEU . 34.8 m-85 -77.9 -31.37 51.16 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.968 0.729 . . . . 0.57 112.968 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 1.1 m120 -53.57 -32.54 51.29 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.191 0.52 . . . . 0.32 110.781 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -58.21 -17.24 17.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.526 -0.761 . . . . 1.19 112.178 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.581 ' OD1' HG23 ' B' ' 39' ' ' VAL . 14.1 p30 -110.18 -3.35 16.38 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.849 0.685 . . . . 1.62 112.849 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.92 49.72 1.23 Allowed Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.198 -1.001 . . . . 0.26 113.464 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.581 HG23 ' OD1' ' B' ' 37' ' ' ASN . 59.7 t -125.17 137.54 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 108.672 -0.862 . . . . 0.26 108.672 177.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -149.91 -174.97 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.302 0.572 . . . . 1.3 111.781 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.55 -145.49 16.94 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.132 -0.94 . . . . 0.23 112.171 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -148.58 154.74 40.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.847 0.356 . . . . 1.57 111.132 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.433 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 94.0 m95 -73.8 115.39 13.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.33 110.845 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -108.06 142.94 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.848 -0.615 . . . . 0.19 110.506 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.15 140.93 50.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.464 -0.789 . . . . 0.27 110.697 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.36 160.9 31.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 1.14 110.585 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.19 131.93 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.36 . . . . 2.26 111.161 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.67 140.85 34.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.46 . . . . 0.26 111.416 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.473 HG23 ' HB3' ' C' ' 2' ' ' GLN . 4.2 m -137.71 150.06 47.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.574 . . . . 0.29 110.806 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mtmt -117.86 138.17 52.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.034 0.445 . . . . 0.85 110.614 179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 21.7 m -126.18 133.81 51.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.839 -0.619 . . . . 0.26 110.363 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -80.79 122.07 26.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.827 0.346 . . . . 0.32 111.661 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 41.7 m -99.61 123.52 43.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.213 -0.449 . . . . 0.21 110.198 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.449 HG12 ' N ' ' B' ' 55' ' ' THR . 19.5 t -69.61 156.68 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.987 0.422 . . . . 0.28 110.873 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.449 ' N ' HG12 ' B' ' 54' ' ' VAL . 36.7 m -152.78 -71.84 0.15 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.933 -0.576 . . . . 0.34 111.105 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.292 -0.861 . . . . 4.36 110.935 -179.875 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.543 ' N ' ' HB2' ' D' ' 8' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.053 0.454 . . . . 1.0 111.089 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.473 ' HB3' HG23 ' B' ' 49' ' ' THR . 4.8 tt0 -91.36 124.24 35.39 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.699 -0.682 . . . . 1.77 110.321 179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -109.22 131.14 55.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.465 0.65 . . . . 0.28 111.573 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -105.69 124.97 50.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.754 -1.112 . . . . 1.62 110.568 -179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.583 HG12 HD12 ' C' ' 7' ' ' LEU . 17.9 t -142.29 124.19 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.0 0.429 . . . . 0.34 111.268 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' D' ' 1' ' ' MET . 16.2 mt -92.98 117.59 36.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.873 -0.603 . . . . 0.49 110.763 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.747 HD22 ' HB2' ' C' ' 26' ' ' PHE . 0.6 OUTLIER -123.76 112.28 17.15 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.607 -0.886 . . . . 0.94 108.607 179.053 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' C' ' 10' ' ' LYS . 41.9 t30 -157.68 104.72 1.98 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.125 -0.324 . . . . 2.49 110.125 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.44 69.4 0.01 OUTLIER Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.804 -0.712 . . . . 2.26 113.762 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' C' ' 8' ' ' ASN . 0.0 OUTLIER -76.64 117.13 17.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.82 0.31 . . . . 5.59 110.267 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 17.2 p -140.49 78.56 1.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.869 0.366 . . . . 5.51 110.901 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 mt -70.25 -67.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 6.52 111.026 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -135.75 126.69 27.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 8.53 110.86 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 165.99 -167.64 39.33 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.799 -0.715 . . . . 6.82 112.27 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.36 175.29 0.78 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.899 0.38 . . . . 8.17 110.98 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.2 t -98.3 36.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 7.69 110.919 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p -76.74 176.96 7.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 6.74 111.046 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 19.4 p -76.86 -168.17 0.99 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.301 -0.409 . . . . 5.16 111.361 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' C' ' 20' ' ' ALA . 18.3 pt-20 -131.54 -49.52 0.98 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.977 0.894 . . . . 6.37 112.133 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.58 ' O ' HG21 ' C' ' 25' ' ' THR . . . 75.32 -47.04 0.59 Allowed 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 113.914 -1.494 . . . . 1.96 112.96 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.53 HG12 ' CE1' ' D' ' 34' ' ' PHE . 16.3 m -76.52 58.56 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.968 0.413 . . . . 1.18 111.03 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.402 ' O ' ' HB ' ' C' ' 25' ' ' THR . 9.9 t0 -98.03 144.94 27.01 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.257 0.551 . . . . 1.65 110.522 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.56 -46.76 63.54 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.429 -0.805 . . . . 0.3 110.809 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.42 -31.58 72.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.963 -0.562 . . . . 0.33 110.775 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.58 HG21 ' O ' ' C' ' 20' ' ' ALA . 96.3 m -64.44 -40.67 96.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.15 -0.477 . . . . 0.38 110.824 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.747 ' HB2' HD22 ' C' ' 7' ' ' LEU . 10.7 t80 -65.62 -50.88 63.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 0.37 110.68 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.436 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 62.9 mt-10 -54.91 -49.39 71.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.366 -0.379 . . . . 2.05 110.995 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.47 -52.75 42.93 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.298 0.481 . . . . 1.79 112.298 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.542 HG23 ' O ' ' C' ' 25' ' ' THR . 61.8 t -64.3 -45.4 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 112.062 0.393 . . . . 0.25 112.062 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.671 HG23 ' O ' ' C' ' 26' ' ' PHE . 43.6 t -68.32 -40.76 82.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.033 -0.531 . . . . 0.26 111.338 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . 0.448 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 77.5 tttt -71.24 -46.14 61.69 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.789 -0.364 . . . . 1.39 110.483 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -64.54 -42.49 95.7 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.326 . . . . 1.82 111.378 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.521 ' HB3' ' O ' ' C' ' 29' ' ' VAL . 4.5 t80 -63.68 -46.91 83.41 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.668 0.618 . . . . 0.3 112.668 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.649 ' HZ ' HD21 ' D' ' 7' ' ' LEU . 32.3 m-85 -78.17 -30.92 49.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.865 0.691 . . . . 0.57 112.865 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 1.1 m120 -53.78 -32.55 52.86 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.217 0.532 . . . . 0.32 110.842 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -58.31 -17.24 18.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.46 -0.791 . . . . 1.18 112.123 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.587 ' OD1' HG23 ' C' ' 39' ' ' VAL . 14.2 p30 -110.16 -2.87 16.66 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.833 0.679 . . . . 1.62 112.833 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.49 49.34 1.31 Allowed Glycine 0 CA--C 1.519 0.291 0 C-N-CA 120.213 -0.994 . . . . 0.26 113.566 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.587 HG23 ' OD1' ' C' ' 37' ' ' ASN . 61.9 t -124.4 137.76 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 N-CA-C 108.664 -0.865 . . . . 0.26 108.664 177.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -150.1 -175.11 4.93 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.323 0.583 . . . . 1.3 111.74 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.34 -145.33 17.01 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.107 -0.951 . . . . 0.24 112.095 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -148.81 154.81 40.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.393 . . . . 1.57 111.199 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . 0.436 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 94.4 m95 -73.55 115.21 12.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.861 -0.609 . . . . 0.33 110.856 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -108.12 142.64 38.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.86 -0.609 . . . . 0.19 110.524 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.99 140.89 50.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.568 -0.742 . . . . 0.27 110.681 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.3 160.77 32.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 1.14 110.536 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.19 131.62 46.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 2.26 111.222 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.38 140.48 33.57 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.206 -0.452 . . . . 0.25 111.519 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 4.3 m -137.48 149.99 47.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.915 -0.584 . . . . 0.28 110.841 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -117.56 138.23 52.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.84 110.607 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 21.4 m -126.25 133.48 51.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.858 -0.61 . . . . 0.26 110.417 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -80.58 121.85 26.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.845 0.355 . . . . 0.31 111.621 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 42.6 m -99.36 123.88 44.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.148 -0.478 . . . . 0.2 110.194 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.459 HG12 ' N ' ' C' ' 55' ' ' THR . 19.5 t -70.09 156.27 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.021 0.439 . . . . 0.28 110.837 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.459 ' N ' HG12 ' C' ' 54' ' ' VAL . 40.8 m -151.99 -72.8 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.781 -0.645 . . . . 0.34 111.12 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.158 -0.925 . . . . 4.37 110.901 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.443 ' O ' ' HA ' ' C' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.916 0.389 . . . . 1.0 111.339 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . 0.505 ' HB3' HG23 ' A' ' 49' ' ' THR . 4.6 tt0 -91.58 124.38 35.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.857 -0.61 . . . . 1.77 110.347 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.41 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.6 m-85 -109.11 131.03 55.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.534 0.683 . . . . 0.28 111.546 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -106.0 124.76 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.614 -1.175 . . . . 1.62 110.393 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.574 HG12 HD12 ' D' ' 7' ' ' LEU . 19.4 t -142.24 123.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.019 0.437 . . . . 0.34 111.022 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' C' ' 1' ' ' MET . 15.6 mt -92.96 117.45 36.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.819 -0.628 . . . . 0.49 110.618 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.73 HD22 ' HB2' ' D' ' 26' ' ' PHE . 0.5 OUTLIER -123.49 111.75 16.68 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.238 -1.023 . . . . 0.94 108.238 179.166 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.669 ' O ' ' N ' ' D' ' 10' ' ' LYS . 53.0 t30 -158.97 71.22 0.52 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 119.148 -0.453 . . . . 2.49 111.864 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . 0.656 ' C ' ' O ' ' D' ' 8' ' ' ASN . . . -5.52 72.95 0.0 OUTLIER Glycine 0 N--CA 1.466 0.659 0 C-N-CA 120.554 -0.832 . . . . 2.94 112.182 179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' D' ' 8' ' ' ASN . 43.7 mmtt -44.38 109.97 0.19 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.093 0.473 . . . . 7.07 112.165 -177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.47 149.46 50.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.616 -0.72 . . . . 5.94 110.671 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 mt -176.39 151.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.962 -0.563 . . . . 8.3 110.357 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.37 133.87 54.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 10.04 110.513 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' D' ' 15' ' ' GLU . . . 153.48 -28.95 0.77 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.476 -0.869 . . . . 6.76 112.584 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . 0.577 ' O ' ' O ' ' D' ' 16' ' ' THR . 0.1 OUTLIER 85.85 -33.11 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.507 0.67 . . . . 8.09 111.851 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . 0.615 HG22 ' H ' ' D' ' 17' ' ' THR . 10.1 m 37.84 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 113.945 -1.48 . . . . 6.67 111.238 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.615 ' H ' HG22 ' D' ' 16' ' ' THR . 0.8 OUTLIER -111.66 -74.35 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 121.752 -0.593 . . . . 5.77 111.058 -179.313 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 18.4 p -119.83 169.53 10.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.017 -0.538 . . . . 4.98 110.639 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -103.16 -173.8 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.002 -0.545 . . . . 5.71 110.19 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . 0.496 ' O ' HG21 ' D' ' 25' ' ' THR . . . -149.12 -51.73 0.16 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.349 0.595 . . . . 2.04 110.113 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.562 HG12 ' CE1' ' C' ' 34' ' ' PHE . 16.1 m -89.01 63.4 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.972 -1.013 . . . . 1.19 111.603 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' D' ' 25' ' ' THR . 10.3 t0 -99.18 145.51 27.13 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.262 0.553 . . . . 1.65 110.761 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.7 -47.07 64.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.475 -0.784 . . . . 0.3 110.876 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.02 -31.72 72.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.047 -0.524 . . . . 0.33 110.697 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.54 ' O ' HG23 ' D' ' 29' ' ' VAL . 99.8 m -64.02 -40.96 97.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.013 -0.54 . . . . 0.38 110.887 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.73 ' HB2' HD22 ' D' ' 7' ' ' LEU . 10.4 t80 -65.93 -50.71 63.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.37 110.615 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . 0.435 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 62.7 mt-10 -55.03 -49.45 71.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.389 -0.369 . . . . 2.05 110.955 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -66.33 -53.03 41.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.338 0.496 . . . . 1.79 112.338 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.54 HG23 ' O ' ' D' ' 25' ' ' THR . 62.1 t -64.17 -45.47 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.257 0 N-CA-C 112.095 0.406 . . . . 0.25 112.095 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.672 HG23 ' O ' ' D' ' 26' ' ' PHE . 43.4 t -68.11 -41.2 84.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.021 -0.536 . . . . 0.26 111.402 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . 0.45 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 77.5 tttt -71.02 -45.91 63.11 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.802 -0.359 . . . . 1.39 110.496 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -64.49 -42.89 95.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.762 0.315 . . . . 1.82 111.344 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.522 ' HB3' ' O ' ' D' ' 29' ' ' VAL . 4.4 t80 -63.54 -47.09 83.04 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.641 0.608 . . . . 0.3 112.641 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.652 ' HZ ' HD21 ' C' ' 7' ' ' LEU . 32.8 m-85 -77.76 -30.56 51.58 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 113.08 0.77 . . . . 0.57 113.08 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 1.1 m120 -54.32 -32.39 56.46 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.212 0.53 . . . . 0.32 110.783 179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -58.41 -17.2 18.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 1.18 112.084 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.578 ' OD1' HG23 ' D' ' 39' ' ' VAL . 14.2 p30 -110.2 -2.71 16.7 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.839 0.681 . . . . 1.63 112.839 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.24 48.5 1.43 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.168 -1.015 . . . . 0.26 113.708 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.578 HG23 ' OD1' ' D' ' 37' ' ' ASN . 61.7 t -123.31 138.38 53.44 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.333 0 N-CA-C 108.582 -0.896 . . . . 0.26 108.582 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -150.57 -174.99 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.201 -0.6 . . . . 1.3 111.698 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.95 -145.61 17.28 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.165 -0.925 . . . . 0.24 112.239 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.53 154.27 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 1.58 111.212 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 94.0 m95 -73.2 115.36 12.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.894 -0.594 . . . . 0.33 110.919 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -108.29 142.48 38.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.819 -0.628 . . . . 0.19 110.476 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.73 141.04 51.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.566 -0.743 . . . . 0.27 110.717 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -71.35 160.74 32.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.14 110.534 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.25 131.14 45.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.385 -0.37 . . . . 2.26 111.315 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.09 139.97 33.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.25 -0.432 . . . . 0.26 111.623 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 4.4 m -136.97 150.05 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.28 110.811 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -117.65 138.29 52.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.0 0.429 . . . . 0.85 110.585 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 22.2 m -126.44 133.29 51.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.863 -0.608 . . . . 0.26 110.456 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -80.19 121.98 26.26 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.794 0.33 . . . . 0.32 111.648 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 46.4 m -99.59 123.82 44.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 0.21 110.224 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.464 HG12 ' N ' ' D' ' 55' ' ' THR . 19.6 t -69.83 156.75 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.28 110.909 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.464 ' N ' HG12 ' D' ' 54' ' ' VAL . 35.3 m -152.77 -71.97 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.34 111.086 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.202 -0.904 . . . . 4.37 110.939 -179.842 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.934 0.397 . . . . 0.0 111.253 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -89.58 124.24 34.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.692 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.481 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 35.6 m-85 -108.8 128.58 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.24 0.543 . . . . 0.0 111.925 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -106.74 125.31 50.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.41 122.04 9.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' B' ' 1' ' ' MET . 21.1 mt -92.97 117.27 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.433 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.2 OUTLIER -112.32 124.17 51.88 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.113 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -152.11 -71.2 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.932 0.396 . . . . 0.0 111.0 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.77 -97.79 1.66 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.492 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.9 tttt 62.44 86.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.943 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.4 p -58.82 169.84 0.92 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.08 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 mt -142.21 -62.91 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -118.44 106.81 13.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.024 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.15 -142.66 15.85 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.669 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -160.09 168.49 25.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -143.96 -49.29 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.723 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.6 -68.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.382 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 p -72.44 112.38 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 111.248 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 61.44 99.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.213 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.82 31.38 3.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG13 ' HG ' ' A' ' 7' ' ' LEU . 12.6 t 54.77 65.77 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 25' ' ' THR . 4.7 m-20 -102.49 145.84 28.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.788 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.491 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.94 -42.4 59.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.955 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -30.25 69.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.096 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.4 m -61.73 -38.12 86.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.393 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 30' ' ' VAL . 25.3 t80 -68.26 -52.69 31.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.797 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 20.0 mt-10 -51.73 -54.41 28.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.909 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -65.75 -51.41 59.37 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.589 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 59.3 t -63.01 -41.3 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 26' ' ' PHE . 59.0 t -70.19 -45.1 77.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -64.06 -44.98 90.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.975 0.417 . . . . 0.0 110.566 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.32 -45.75 89.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.025 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.586 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.3 t80 -67.29 -46.9 72.21 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.633 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 38.6 m-85 -74.89 -33.27 62.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.77 -30.94 62.1 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.975 178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -61.37 -18.09 57.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.093 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.672 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.4 p30 -105.44 -19.7 13.71 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.29 15.12 2.08 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.052 -1.071 . . . . 0.0 114.046 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.672 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.5 t -89.3 143.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 117.306 0.553 . . . . 0.0 110.872 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -156.28 -177.78 6.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.871 0.367 . . . . 0.0 111.244 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.08 -145.02 18.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.262 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -148.74 156.23 42.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 96.0 m95 -72.96 119.47 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.387 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -113.97 141.5 47.32 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.547 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.76 143.78 51.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.881 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.65 160.47 32.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -65.85 127.84 33.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.586 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.85 142.66 28.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.107 0.48 . . . . 0.0 111.977 -179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 22.7 m -137.49 156.27 48.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.467 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 mtmt -127.84 122.26 32.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.015 0.436 . . . . 0.0 111.253 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -107.45 134.1 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.568 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -81.4 116.03 21.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.239 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -89.97 124.43 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.671 0.272 . . . . 0.0 110.544 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.44 155.92 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.103 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 34.1 m -148.46 -67.82 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.98 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.404 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.886 0.374 . . . . 0.0 111.196 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -89.58 124.2 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.712 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.491 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 35.7 m-85 -108.76 128.67 55.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.255 0.55 . . . . 0.0 111.958 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -106.79 125.19 50.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.9 t -142.33 122.08 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 1' ' ' MET . 21.4 mt -92.98 117.26 35.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.439 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.633 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -112.39 124.31 52.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.1 179.037 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -151.98 -61.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.058 0.456 . . . . 0.0 110.434 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.15 93.7 2.32 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.601 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -65.71 163.44 16.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.797 0.332 . . . . 0.0 110.7 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.2 m -112.59 166.52 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 mt 62.89 146.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.069 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 41.0 mttm 59.24 96.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.89 -156.73 27.15 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.689 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -92.65 144.0 25.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.747 0.308 . . . . 0.0 110.964 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 30.8 m -93.05 79.57 4.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 40.5 p -133.66 179.42 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 70.5 p -91.3 -38.84 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.92 89.41 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.14 79.76 1.73 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.475 HG13 ' HG ' ' B' ' 7' ' ' LEU . 11.8 t 55.93 65.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.307 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.485 ' O ' ' HB ' ' B' ' 25' ' ' THR . 4.7 m-20 -102.55 145.92 28.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.352 0.596 . . . . 0.0 111.689 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.481 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.98 -42.42 60.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.014 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.12 -30.37 69.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.59 ' O ' HG23 ' B' ' 29' ' ' VAL . 50.6 m -61.67 -38.08 86.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.655 ' O ' HG23 ' B' ' 30' ' ' VAL . 25.6 t80 -68.29 -52.62 31.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.421 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 21.6 mt-10 -51.86 -54.33 30.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.885 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -65.66 -51.51 58.9 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 25' ' ' THR . 58.8 t -62.96 -41.3 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.655 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.2 t -70.2 -45.07 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -64.09 -45.01 90.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 110.52 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -63.25 -45.73 90.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.13 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.589 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.3 t80 -67.21 -46.93 72.38 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.621 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 38.3 m-85 -74.88 -33.34 62.05 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.71 -30.89 61.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.967 0.413 . . . . 0.0 110.994 178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.38 -18.08 57.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.093 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.68 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.5 p30 -105.58 -19.41 13.78 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.93 15.34 2.13 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.068 -1.063 . . . . 0.0 114.023 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.68 HG23 ' OD1' ' B' ' 37' ' ' ASN . 23.1 t -89.42 143.22 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 117.279 0.54 . . . . 0.0 110.852 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -156.49 -178.3 7.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.999 0.428 . . . . 0.0 111.213 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.61 -144.95 18.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.243 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -148.73 156.15 41.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.904 0.383 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.421 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 96.0 m95 -73.02 119.3 17.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.374 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.3 p -113.77 141.43 47.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.544 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.66 143.72 51.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.854 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.55 160.49 32.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -65.84 127.57 32.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.577 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.73 142.86 27.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.962 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 24.0 m -137.76 156.37 48.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.547 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -127.75 122.27 32.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.005 0.431 . . . . 0.0 111.33 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.3 m -107.37 134.09 50.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.559 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -81.43 116.11 21.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.24 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.7 m -89.94 124.6 34.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.696 0.284 . . . . 0.0 110.594 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.53 155.95 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 111.061 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.7 m -148.59 -67.72 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.007 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -89.31 124.18 34.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.664 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.475 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 35.6 m-85 -108.8 128.66 55.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.298 0.571 . . . . 0.0 111.959 -179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -106.8 125.29 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.019 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.33 122.04 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.017 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 21.5 mt -92.95 117.25 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.405 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.647 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.2 OUTLIER -112.3 124.12 51.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.019 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -152.05 -70.53 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.019 0.437 . . . . 0.0 110.95 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.83 -69.27 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.371 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt 60.63 163.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.033 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.18 107.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.971 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 18.4 mt -123.71 88.25 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -168.93 147.69 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 110.87 -47.72 1.01 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.575 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 61.42 45.08 8.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 110.742 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 8.5 m -108.47 -65.95 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 45.4 m -147.26 -65.73 0.27 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.021 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 35.6 p 53.11 73.16 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.368 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -144.34 110.97 5.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.836 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.61 ' O ' HG21 ' C' ' 25' ' ' THR . . . -169.07 -62.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.946 0.403 . . . . 0.0 111.366 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.464 HG13 ' HG ' ' C' ' 7' ' ' LEU . 4.4 t -77.0 59.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.968 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' C' ' 25' ' ' THR . 4.1 m-20 -102.49 146.38 28.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.088 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.456 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -50.71 -42.16 56.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.915 179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.45 -30.25 69.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.128 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.61 HG21 ' O ' ' C' ' 20' ' ' ALA . 50.7 m -61.76 -38.2 87.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.332 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.67 ' O ' HG23 ' C' ' 30' ' ' VAL . 25.1 t80 -68.18 -52.67 31.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.759 178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.421 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 20.7 mt-10 -51.8 -54.37 29.59 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.907 -179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -65.71 -51.42 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.598 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 59.6 t -63.07 -41.36 92.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.67 HG23 ' O ' ' C' ' 26' ' ' PHE . 59.6 t -70.26 -44.85 77.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -64.16 -45.02 90.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.002 0.43 . . . . 0.0 110.573 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -63.33 -45.8 89.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.008 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.594 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.3 t80 -67.23 -46.96 72.22 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.649 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 38.4 m-85 -74.87 -33.21 62.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -30.89 62.33 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.875 0.369 . . . . 0.0 110.964 178.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.4 -18.06 57.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.04 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.668 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.5 p30 -105.59 -19.7 13.69 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.39 15.08 2.07 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.1 -1.048 . . . . 0.0 114.056 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.668 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.2 t -89.4 143.26 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.309 0.554 . . . . 0.0 110.893 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -156.42 -178.38 7.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 111.232 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.69 -145.0 18.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.213 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -148.67 156.11 41.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.001 0.429 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . 0.421 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 96.0 m95 -72.91 119.57 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.369 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -113.99 141.44 47.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.583 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.78 143.73 51.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.848 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.6 160.42 32.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.034 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -65.89 127.87 33.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.12 142.99 28.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.096 0.474 . . . . 0.0 112.121 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 22.4 m -137.67 156.31 48.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.502 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -127.74 122.25 32.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.968 0.414 . . . . 0.0 111.188 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -107.38 134.11 50.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.647 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.42 116.05 21.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.18 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.6 m -89.93 124.6 34.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.701 0.286 . . . . 0.0 110.498 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.47 156.04 7.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 111.025 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 32.6 m -148.54 -67.78 0.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.976 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -89.47 124.07 34.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.693 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.456 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 35.8 m-85 -108.69 128.67 55.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.179 0.514 . . . . 0.0 111.951 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -106.77 125.27 50.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.38 122.06 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 21.0 mt -92.96 117.22 35.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.431 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.2 OUTLIER -112.18 124.11 51.73 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.055 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -152.34 -66.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.2 -108.92 3.74 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.446 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 51.9 mttt 63.54 149.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.983 0.421 . . . . 0.0 111.329 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 63.58 104.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.109 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 mp -107.85 -68.69 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 53.7 mttt 60.65 96.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 146.02 -112.22 0.62 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.556 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -117.43 172.73 7.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.065 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -79.68 148.24 31.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.5 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 18.9 p -137.29 179.63 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 111.18 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 76.2 p -105.13 -34.69 7.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.289 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -129.91 133.5 46.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.963 0.411 . . . . 0.0 111.469 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.36 56.99 1.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.607 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.485 HG13 ' HG ' ' D' ' 7' ' ' LEU . 12.5 t 53.83 64.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.627 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.476 ' O ' ' HB ' ' D' ' 25' ' ' THR . 4.7 m-20 -102.41 145.76 29.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.694 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.475 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -50.86 -42.28 58.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.018 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.34 69.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.085 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.598 ' O ' HG23 ' D' ' 29' ' ' VAL . 51.2 m -61.74 -38.22 87.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.32 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.672 ' O ' HG23 ' D' ' 30' ' ' VAL . 24.8 t80 -68.14 -52.81 30.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.753 178.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . 0.422 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 20.1 mt-10 -51.66 -54.41 28.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.906 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.0 tttm -65.71 -51.49 58.93 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.598 HG23 ' O ' ' D' ' 25' ' ' THR . 59.0 t -62.97 -41.32 92.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.672 HG23 ' O ' ' D' ' 26' ' ' PHE . 59.1 t -70.18 -45.1 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 35.9 tttt -64.14 -44.98 90.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.485 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -63.39 -45.7 89.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.031 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.3 t80 -67.16 -47.03 72.23 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.647 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 38.4 m-85 -74.87 -33.23 62.07 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.88 -30.85 62.2 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.958 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -61.43 -18.04 57.07 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.025 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.67 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.5 p30 -105.5 -19.75 13.69 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.3 15.19 2.07 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.052 -1.07 . . . . 0.0 114.047 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.67 HG23 ' OD1' ' D' ' 37' ' ' ASN . 22.3 t -89.42 143.24 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.297 0.549 . . . . 0.0 110.858 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -156.48 -178.2 7.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.005 0.431 . . . . 0.0 111.161 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.56 -144.99 18.23 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.221 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -148.64 156.07 41.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 111.074 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . 0.422 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 96.0 m95 -72.95 119.39 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.378 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 68.1 p -113.87 141.45 47.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.572 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -70.75 143.74 51.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.87 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.61 160.44 32.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -65.9 127.97 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.621 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.01 142.56 29.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.134 0.492 . . . . 0.0 112.036 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 23.5 m -137.46 156.34 48.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.508 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -127.81 122.2 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 111.241 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -107.32 134.12 50.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.579 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.38 115.94 20.97 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.212 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -89.87 124.5 34.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.716 0.293 . . . . 0.0 110.484 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.401 HG12 ' N ' ' D' ' 55' ' ' THR . 5.1 t -71.49 156.14 7.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.059 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.401 ' N ' HG12 ' D' ' 54' ' ' VAL . 34.1 m -148.53 -67.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.934 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.957 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.761 0.315 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -89.38 123.79 33.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.705 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 39.8 m-85 -110.12 132.33 54.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.352 0.596 . . . . 0.0 112.293 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -106.28 130.76 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.841 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.522 HG12 HD12 ' A' ' 7' ' ' LEU . 19.5 t -142.73 128.11 16.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.269 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -96.67 123.62 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.416 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.767 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 2.3 mp -135.1 114.58 12.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.68 0.276 . . . . 0.0 110.534 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -153.97 105.64 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.733 0.302 . . . . 0.0 110.726 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.67 93.68 1.75 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -123.93 179.11 4.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 0.0 110.999 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -85.49 85.14 7.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.3 mt -85.04 -27.55 26.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -104.27 176.82 5.03 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.953 0.406 . . . . 0.0 111.193 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.89 -35.25 5.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.085 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' O ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER -83.02 130.47 35.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.607 0.242 . . . . 0.0 110.641 179.617 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 15' ' ' GLU . 14.8 t 45.38 -169.74 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.09 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -132.29 -62.56 0.83 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.048 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 p 57.03 -173.08 0.08 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.036 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -152.74 138.68 18.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' B' ' 37' ' ' ASN . . . -133.41 -67.64 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.628 HG12 ' HE2' ' B' ' 34' ' ' PHE . 4.8 m -94.6 81.3 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.742 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.8 t70 -99.8 141.8 32.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.379 0.609 . . . . 0.0 111.295 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.21 -42.33 39.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.388 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -29.7 68.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.174 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 29' ' ' VAL . 78.8 m -62.14 -40.22 95.23 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.049 0.452 . . . . 0.0 110.42 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.3 t80 -66.54 -47.22 73.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.948 179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.04 -51.7 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.955 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -66.61 -50.24 63.65 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 25' ' ' THR . 61.7 t -61.8 -41.7 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.4 t -72.7 -44.54 59.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.03 -46.39 87.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.958 0.409 . . . . 0.0 110.774 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -64.35 -44.73 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.561 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.525 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.7 -46.49 72.1 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.777 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 39.4 m-85 -74.87 -32.13 61.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.6 -29.89 62.62 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.949 0.404 . . . . 0.0 110.971 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -61.73 -17.82 57.34 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.035 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.651 ' OD1' HG23 ' A' ' 39' ' ' VAL . 20.5 p30 -106.6 -20.24 13.42 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.7 14.67 1.87 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.249 -0.977 . . . . 0.0 114.305 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.651 HG23 ' OD1' ' A' ' 37' ' ' ASN . 26.2 t -88.96 143.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.616 0.708 . . . . 0.0 110.679 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -154.45 -178.19 6.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.094 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.08 -143.47 17.97 Favored Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.406 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -151.88 158.98 43.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -74.07 118.58 17.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -111.15 141.58 44.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.373 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -69.87 143.73 52.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.089 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 159.21 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.67 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -66.72 129.97 41.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.819 0.343 . . . . 0.0 110.747 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.37 143.48 34.31 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.917 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -138.36 156.52 47.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.484 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -124.41 119.22 28.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.024 0.44 . . . . 0.0 111.44 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 39.7 m -105.83 133.02 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.21 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -80.85 115.99 20.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.4 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.3 m -94.1 124.04 37.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.31 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 55' ' ' THR . 5.1 t -71.39 154.98 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 111.416 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.751 HG22 ' HG2' ' A' ' 56' ' ' GLU . 87.4 m -140.24 -77.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.751 ' HG2' HG22 ' A' ' 55' ' ' THR . 4.9 pt-20 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.721 0.296 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.07 123.67 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.806 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.43 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 39.7 m-85 -110.04 132.05 54.51 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.284 0.564 . . . . 0.0 112.299 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 46.4 mttt -106.13 130.99 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.867 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.543 HG12 HD12 ' B' ' 7' ' ' LEU . 19.7 t -142.75 128.04 16.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.284 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.4 mt -96.63 123.41 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.35 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.777 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 2.1 mp -135.1 114.9 12.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.462 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -154.55 109.01 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.38 72.67 2.72 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.768 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 28.3 mmtt -113.57 156.91 22.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.668 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -135.77 138.15 42.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.35 -27.16 68.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.233 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -133.37 168.14 19.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.876 0.37 . . . . 0.0 111.378 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.54 67.24 0.76 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.438 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -153.6 99.37 2.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 110.736 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -104.08 116.46 32.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.969 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -153.87 -61.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 3.6 t -76.57 171.08 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.32 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 59.55 165.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.294 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.22 38.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.617 HG12 ' HE2' ' A' ' 34' ' ' PHE . 4.3 m -90.4 80.77 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.2 0.524 . . . . 0.0 111.211 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' B' ' 25' ' ' THR . 13.7 t70 -100.03 141.8 32.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.279 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.18 -42.27 39.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.348 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.8 69.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.177 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.626 ' O ' HG23 ' B' ' 29' ' ' VAL . 83.9 m -62.09 -40.08 94.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.523 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.624 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.4 t80 -66.71 -47.08 73.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.934 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.03 -51.7 68.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.917 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -66.79 -50.09 63.76 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 25' ' ' THR . 62.0 t -61.84 -41.64 91.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 26' ' ' PHE . 62.0 t -72.7 -44.6 59.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.0 -46.36 88.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.001 0.429 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.44 -44.66 90.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.498 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.514 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.7 t80 -67.71 -46.58 71.8 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.767 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 39.4 m-85 -74.92 -32.09 61.7 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -29.93 62.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.986 0.422 . . . . 0.0 111.005 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -61.77 -17.73 57.12 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.026 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.657 ' OD1' HG23 ' B' ' 39' ' ' VAL . 20.5 p30 -106.68 -20.34 13.38 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.78 14.73 1.84 Allowed Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.225 -0.988 . . . . 0.0 114.252 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.657 HG23 ' OD1' ' B' ' 37' ' ' ASN . 27.8 t -89.1 143.27 11.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 117.654 0.727 . . . . 0.0 110.703 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -154.44 -178.02 6.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.888 0.375 . . . . 0.0 111.019 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.02 -143.76 18.04 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.453 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -151.54 158.73 43.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 111.167 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -73.88 118.75 17.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.351 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 62.9 p -111.27 141.56 44.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.344 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -69.82 143.65 52.84 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.023 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.42 159.22 34.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.68 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -66.76 130.1 42.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.55 143.3 36.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.084 0.469 . . . . 0.0 111.886 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 21.3 m -138.32 156.58 47.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.346 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -124.32 119.38 29.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.999 0.428 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 38.7 m -105.98 132.92 51.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.142 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -80.97 115.97 20.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.348 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 62.5 m -94.02 123.88 37.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.238 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.401 HG12 ' N ' ' B' ' 55' ' ' THR . 5.1 t -71.43 155.06 7.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.946 0.403 . . . . 0.0 111.323 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.754 HG22 ' HG2' ' B' ' 56' ' ' GLU . 87.4 m -140.19 -77.53 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.129 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.754 ' HG2' HG22 ' B' ' 55' ' ' THR . 4.6 pt-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.789 0.328 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.41 123.81 33.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.423 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 39.8 m-85 -110.0 132.22 54.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.302 0.572 . . . . 0.0 112.29 -179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -106.24 130.88 54.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.914 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.522 HG12 HD12 ' C' ' 7' ' ' LEU . 19.6 t -142.77 128.22 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.375 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.5 mt -97.01 123.69 49.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.395 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.762 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 2.3 mp -135.1 115.18 13.15 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.418 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -155.94 119.08 4.27 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.84 0.352 . . . . 0.0 111.939 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.94 95.42 2.0 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.274 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.67 86.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 0.0 110.551 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 35.3 p -136.66 169.66 17.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.146 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.52 HD12 ' N ' ' C' ' 12' ' ' LEU . 6.9 mp -96.39 -34.06 11.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -164.87 107.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.51 -36.86 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.711 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -117.13 115.37 25.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -125.47 139.56 53.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m 67.9 -67.68 0.18 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.213 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -62.5 -177.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.6 161.32 23.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.05 61.33 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.521 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.573 HG12 ' HE2' ' D' ' 34' ' ' PHE . 3.0 m 42.54 81.64 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.228 -178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.5 t70 -97.65 140.86 31.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.456 0.646 . . . . 0.0 112.136 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.423 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -49.34 -42.22 41.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.371 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.82 -29.76 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.164 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.625 ' O ' HG23 ' C' ' 29' ' ' VAL . 78.7 m -62.15 -40.16 95.03 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.5 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.609 ' O ' HG23 ' C' ' 30' ' ' VAL . 19.4 t80 -66.58 -47.26 73.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.985 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -57.97 -51.65 68.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.009 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -66.69 -50.02 64.22 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.625 HG23 ' O ' ' C' ' 25' ' ' THR . 61.7 t -61.75 -41.77 91.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.609 HG23 ' O ' ' C' ' 26' ' ' PHE . 61.3 t -72.63 -44.72 59.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.0 -46.4 87.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.992 0.425 . . . . 0.0 110.768 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -64.38 -44.66 90.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.495 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.529 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.7 t80 -67.83 -46.43 71.84 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.765 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 39.6 m-85 -74.92 -32.04 61.68 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.53 -29.98 62.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 111.021 178.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -61.79 -17.81 57.54 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.039 179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.653 ' OD1' HG23 ' C' ' 39' ' ' VAL . 20.6 p30 -106.62 -20.3 13.4 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.7 14.65 1.87 Allowed Glycine 0 CA--C 1.524 0.617 0 C-N-CA 120.213 -0.994 . . . . 0.0 114.343 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.653 HG23 ' OD1' ' C' ' 37' ' ' ASN . 26.3 t -88.96 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 117.613 0.707 . . . . 0.0 110.777 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -154.49 -178.09 6.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.853 0.359 . . . . 0.0 111.155 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.07 -143.49 17.97 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.433 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -151.7 158.92 44.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 111.199 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -74.09 118.58 17.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.308 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 64.0 p -111.21 141.67 44.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.379 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -70.03 143.68 52.45 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.044 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 159.31 34.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.677 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.86 130.1 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 143.0 34.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.064 0.459 . . . . 0.0 111.986 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 20.1 m -138.19 156.58 47.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.356 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -124.68 119.4 28.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.014 0.435 . . . . 0.0 111.299 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 39.4 m -105.9 133.02 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.169 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -80.96 115.95 20.69 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.363 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 71.8 m -93.99 124.16 37.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.313 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.407 HG12 ' N ' ' C' ' 55' ' ' THR . 5.2 t -71.74 155.2 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.969 0.414 . . . . 0.0 111.381 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.754 HG22 ' HG2' ' C' ' 56' ' ' GLU . 87.9 m -140.52 -77.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.084 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . 0.754 ' HG2' HG22 ' C' ' 55' ' ' THR . 4.6 pt-20 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.806 0.336 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -89.48 123.68 33.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.73 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.423 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 40.1 m-85 -109.97 132.14 54.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.288 0.566 . . . . 0.0 112.269 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 46.6 mttt -106.22 130.99 53.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.807 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.523 HG12 HD12 ' D' ' 7' ' ' LEU . 19.4 t -142.73 128.08 16.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.287 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.7 mt -96.82 123.65 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.424 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.765 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 2.3 mp -135.05 115.06 13.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.378 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -155.64 112.45 3.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.09 120.75 19.2 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.965 -0.636 . . . . 0.0 113.021 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -152.19 160.93 43.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.696 0.284 . . . . 0.0 110.751 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 4.0 t -139.46 146.26 39.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.005 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -144.16 51.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.078 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -140.07 170.37 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.409 . . . . 0.0 111.293 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.26 -56.08 24.06 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.413 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.09 170.95 15.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.741 0.305 . . . . 0.0 110.674 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . 0.532 ' O ' HG23 ' D' ' 16' ' ' THR . 12.0 t -92.02 108.92 20.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 70.5 p -87.15 172.2 10.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -99.32 152.54 19.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.87 138.46 58.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.967 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' C' ' 37' ' ' ASN . . . -118.09 -61.49 1.67 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.027 0.441 . . . . 0.0 111.239 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.616 HG12 ' HE2' ' C' ' 34' ' ' PHE . 4.3 m -91.09 80.5 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.056 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.9 t70 -99.69 141.76 32.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.303 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.406 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -49.09 -42.29 38.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.327 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -29.84 69.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.169 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.625 ' O ' HG23 ' D' ' 29' ' ' VAL . 82.6 m -62.08 -40.1 94.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.452 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.604 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.5 t80 -66.54 -47.42 72.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.949 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -57.93 -51.61 68.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.955 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -66.6 -50.36 63.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.625 HG23 ' O ' ' D' ' 25' ' ' THR . 61.0 t -61.73 -41.63 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.604 HG23 ' O ' ' D' ' 26' ' ' PHE . 61.1 t -72.6 -44.93 59.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -62.83 -46.42 88.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.967 0.413 . . . . 0.0 110.771 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -64.26 -44.79 90.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.544 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.7 t80 -67.76 -46.46 71.98 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.762 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 39.1 m-85 -74.9 -32.16 61.74 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.54 -29.96 62.53 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.946 0.403 . . . . 0.0 110.965 178.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -61.83 -17.74 57.45 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.011 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.651 ' OD1' HG23 ' D' ' 39' ' ' VAL . 20.5 p30 -106.56 -20.36 13.39 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.71 14.67 1.86 Allowed Glycine 0 CA--C 1.524 0.631 0 C-N-CA 120.248 -0.977 . . . . 0.0 114.269 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.651 HG23 ' OD1' ' D' ' 37' ' ' ASN . 26.0 t -89.04 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 117.607 0.704 . . . . 0.0 110.747 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -154.51 -177.95 6.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.881 0.372 . . . . 0.0 111.037 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 113.95 -143.63 17.99 Favored Glycine 0 C--N 1.33 0.215 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.466 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -151.65 158.81 43.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.918 0.39 . . . . 0.0 111.102 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -73.95 118.73 17.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.323 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 59.5 p -111.19 141.61 44.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.308 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -69.98 143.76 52.52 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.038 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.3 159.16 34.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.7 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.63 130.17 42.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.4 143.0 36.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.458 . . . . 0.0 111.908 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -138.13 156.53 47.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.41 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -124.49 119.68 29.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 0.0 111.393 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 36.9 m -106.34 133.08 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.154 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -80.97 116.01 20.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.442 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 61.7 m -94.02 124.12 37.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.28 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.69 155.06 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.97 0.414 . . . . 0.0 111.355 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.746 HG22 ' HG2' ' D' ' 56' ' ' GLU . 87.7 m -140.31 -77.46 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.128 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . 0.746 ' HG2' HG22 ' D' ' 55' ' ' THR . 4.7 pt-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.894 0.378 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.45 125.22 35.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.801 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.514 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 37.4 m-85 -108.26 127.08 53.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.22 0.533 . . . . 0.0 112.17 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -106.81 124.79 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.2 125.02 14.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.7 mt -94.67 117.2 37.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.465 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -105.76 125.0 50.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.979 179.075 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -152.99 108.65 3.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.813 0.339 . . . . 0.0 111.065 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.64 100.55 2.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.6 tttt -154.05 87.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 110.717 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -146.21 113.25 6.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.22 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.59 159.13 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.561 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.46 34.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.897 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.38 117.17 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 16' ' ' THR . 6.5 mm-40 62.87 133.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.036 0.446 . . . . 0.0 111.343 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 15' ' ' GLU . 14.7 t 45.24 -170.55 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.1 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 16' ' ' THR . 0.8 OUTLIER -159.19 158.38 32.58 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.824 -179.669 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.5 p -125.19 87.18 2.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -76.67 133.92 39.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.098 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.34 -63.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.3 p -79.67 70.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.724 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 25' ' ' THR . 14.8 t70 -102.36 145.44 29.5 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.227 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.507 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.21 -43.23 64.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.302 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.34 75.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.078 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.2 m -63.05 -39.56 95.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.308 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.726 ' O ' HG23 ' A' ' 30' ' ' VAL . 79.1 t80 -64.79 -53.01 53.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.974 179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -53.7 -49.24 68.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.866 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -66.81 -48.67 68.23 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 25' ' ' THR . 70.7 t -63.69 -42.2 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 26' ' ' PHE . 49.0 t -69.82 -45.1 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.041 -179.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -64.17 -45.41 88.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.906 0.384 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.94 -41.35 95.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.4 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.524 ' HZ ' HG22 ' B' ' 25' ' ' THR . 3.8 t80 -68.39 -48.39 64.83 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.432 ' HB3' HG21 ' A' ' 39' ' ' VAL . 28.9 m-85 -78.03 -31.24 50.33 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -29.22 44.56 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.014 0.435 . . . . 0.0 111.062 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -61.24 -17.15 51.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.118 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' OD1' HG23 ' A' ' 39' ' ' VAL . 11.2 p30 -103.84 -17.82 14.89 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.11 16.3 2.18 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.258 -0.972 . . . . 0.0 113.919 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.0 t -89.14 143.1 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.174 0.487 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -154.24 -179.74 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.112 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.51 -144.78 17.76 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.408 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -149.82 157.17 42.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.049 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.401 ' CZ3' ' HB2' ' C' ' 52' ' ' PHE . 88.2 m95 -72.92 120.53 18.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.042 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.406 HG21 ' OG1' ' C' ' 53' ' ' THR . 52.0 p -114.63 139.11 49.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.18 144.45 50.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.486 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.48 157.0 38.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.64 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.1 136.31 54.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.2 140.82 43.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.642 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.6 m -136.47 156.44 48.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -117.79 148.08 42.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.5 m -142.12 131.2 23.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.293 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -81.6 117.99 22.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.37 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -92.59 124.37 36.57 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.94 155.42 7.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.965 0.412 . . . . 0.0 111.156 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.8 m -147.73 -68.48 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.938 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.839 0.352 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -90.34 125.3 35.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.507 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.4 m-85 -108.36 127.16 53.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.254 0.549 . . . . 0.0 112.137 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -106.77 124.77 50.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.95 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -142.17 124.76 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.197 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -94.45 117.17 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.531 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.2 OUTLIER -105.79 124.79 50.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.898 179.089 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -153.03 108.88 3.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.884 0.373 . . . . 0.0 111.004 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.81 -56.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -126.18 109.82 12.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.1 t -146.3 66.61 1.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.74 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.487 ' N ' HD12 ' B' ' 12' ' ' LEU . 6.1 mp 59.92 34.5 21.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.811 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -170.49 126.13 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.977 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.59 67.67 1.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.586 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -104.66 32.34 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 17.1 m -111.47 -46.68 3.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.741 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -75.04 168.0 20.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.683 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 25.2 p -79.08 123.51 27.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -74.15 163.36 27.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.159 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.69 -59.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.112 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.514 ' O ' HG13 ' B' ' 21' ' ' VAL . 7.2 p -84.55 71.7 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.165 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.417 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.9 t70 -102.81 145.38 29.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.336 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.514 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -52.15 -43.42 64.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.215 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.94 -33.28 75.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.032 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.682 ' O ' HG23 ' B' ' 29' ' ' VAL . 18.5 m -63.11 -39.37 94.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.34 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.722 ' O ' HG23 ' B' ' 30' ' ' VAL . 78.7 t80 -64.99 -53.03 52.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.877 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -53.75 -49.06 69.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.877 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -66.95 -48.71 67.72 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.682 HG23 ' O ' ' B' ' 25' ' ' THR . 71.2 t -63.51 -42.33 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 26' ' ' PHE . 49.5 t -69.89 -44.82 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 112.105 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -64.35 -45.42 87.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.987 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -65.01 -41.29 95.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.466 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.541 ' HZ ' HG22 ' A' ' 25' ' ' THR . 3.8 t80 -68.41 -48.37 64.83 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.442 ' HB3' HG21 ' B' ' 39' ' ' VAL . 28.7 m-85 -78.05 -31.08 50.14 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.31 -29.1 46.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.964 0.412 . . . . 0.0 111.04 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -61.18 -17.16 51.62 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.082 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.447 ' OD1' HG23 ' B' ' 39' ' ' VAL . 11.5 p30 -104.08 -17.72 14.82 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.92 16.46 2.2 Favored Glycine 0 CA--C 1.521 0.455 0 C-N-CA 120.216 -0.992 . . . . 0.0 113.931 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.447 HG23 ' OD1' ' B' ' 37' ' ' ASN . 22.0 t -89.12 143.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 117.12 0.46 . . . . 0.0 111.061 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -154.45 -179.72 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 111.129 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.47 -145.08 17.9 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -149.56 156.9 42.71 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.848 0.356 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -72.65 120.71 18.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.094 0.474 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 55.0 p -114.81 138.83 50.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.95 144.29 50.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.507 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -71.51 156.94 38.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.689 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.25 136.46 54.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.867 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.13 140.26 44.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.632 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.6 m -135.75 156.41 48.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.83 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -117.81 148.08 42.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 11.3 m -142.07 131.13 23.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.239 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.41 ' HB2' ' CZ3' ' D' ' 43' ' ' TRP . 61.2 t80 -81.47 117.94 22.3 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.379 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.412 ' OG1' HG21 ' D' ' 44' ' ' THR . 94.8 m -92.64 124.56 36.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.99 156.0 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.934 0.397 . . . . 0.0 111.08 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 55.1 m -148.16 -68.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.813 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.956 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.843 0.354 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -90.36 125.29 35.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.521 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 37.0 m-85 -108.32 127.13 53.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.287 0.565 . . . . 0.0 112.178 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -106.84 124.77 50.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.951 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.1 t -142.15 124.83 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -94.77 117.29 38.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.586 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.2 OUTLIER -105.7 124.83 50.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.941 179.167 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -154.97 115.78 3.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.737 0.303 . . . . 0.0 111.354 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.08 88.21 1.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.879 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -71.78 147.75 46.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.628 0.251 . . . . 0.0 110.461 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 53.1 p -79.56 83.14 5.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.794 0.331 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -100.1 175.77 5.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.721 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 176.07 5.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.51 124.43 2.85 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.359 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -70.5 92.54 0.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 111.019 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 25.3 m -131.48 92.83 3.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.64 174.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.8 t -97.05 -31.76 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -68.11 136.78 54.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.236 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -134.53 49.38 2.24 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.914 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.446 ' O ' HG13 ' C' ' 21' ' ' VAL . 6.8 p 42.49 74.5 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.781 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.43 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.3 t70 -102.35 144.66 30.56 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.097 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.514 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -52.42 -43.35 64.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.235 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.23 75.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.666 ' O ' HG23 ' C' ' 29' ' ' VAL . 18.3 m -63.11 -39.55 95.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.213 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.714 ' O ' HG23 ' C' ' 30' ' ' VAL . 78.8 t80 -64.92 -52.9 53.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.861 179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -53.79 -49.35 68.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.816 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -66.81 -48.59 68.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.666 HG23 ' O ' ' C' ' 25' ' ' THR . 73.3 t -63.68 -42.25 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.714 HG23 ' O ' ' C' ' 26' ' ' PHE . 53.2 t -69.8 -44.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.973 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -64.31 -45.44 87.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -65.02 -41.33 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.437 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.523 ' HZ ' HG22 ' D' ' 25' ' ' THR . 3.8 t80 -68.32 -48.46 64.82 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.425 ' HB3' HG21 ' C' ' 39' ' ' VAL . 28.7 m-85 -78.13 -31.21 49.77 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.27 -29.12 45.93 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.057 -0.402 . . . . 0.0 111.059 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -61.26 -17.15 52.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.967 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.454 ' OD1' HG23 ' C' ' 39' ' ' VAL . 11.3 p30 -104.0 -17.88 14.8 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.24 16.06 2.18 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 120.259 -0.972 . . . . 0.0 113.869 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.454 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.1 t -88.89 143.18 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 117.276 0.538 . . . . 0.0 111.108 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -154.32 -179.57 8.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.926 0.393 . . . . 0.0 111.138 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.29 -144.98 17.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.412 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -149.71 157.02 42.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.819 0.343 . . . . 0.0 110.97 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.79 120.59 18.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.4 p -114.59 138.96 50.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.81 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.1 144.23 50.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.448 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.36 157.06 38.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.666 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -67.04 136.15 54.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.87 140.21 43.34 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.605 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 19.8 m -135.96 156.39 48.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -117.86 148.32 42.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 12.7 m -142.34 131.13 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.23 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . 0.401 ' HB2' ' CZ3' ' A' ' 43' ' ' TRP . 61.5 t80 -81.38 118.26 22.52 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.483 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . 0.406 ' OG1' HG21 ' A' ' 44' ' ' THR . 91.8 m -92.82 124.34 36.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.284 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.08 155.38 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.891 0.377 . . . . 0.0 111.128 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 55.5 m -147.72 -68.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.786 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.962 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 121.006 0.431 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -90.46 125.18 35.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.759 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.514 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.2 m-85 -108.27 127.09 53.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.348 0.595 . . . . 0.0 112.144 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -106.75 124.58 49.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.936 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 20.4 t -142.2 124.88 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 34.3 mt -94.67 117.33 38.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.515 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.428 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.2 OUTLIER -105.77 125.26 50.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.983 179.135 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -152.92 109.05 3.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 111.563 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.27 121.53 21.15 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.316 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 mttp -89.07 179.95 6.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.95 0.405 . . . . 0.0 110.919 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -149.29 36.7 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.675 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 36.1 mt -73.73 -35.64 65.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.061 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -107.62 80.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.22 -178.51 23.54 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.695 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . 0.437 ' O ' HG22 ' D' ' 16' ' ' THR . 48.9 mt-10 -100.75 105.31 16.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.91 0.386 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . 0.437 HG22 ' O ' ' D' ' 15' ' ' GLU . 15.3 t 44.15 34.69 1.03 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.927 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 5.2 m -100.4 -63.41 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.764 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 7.6 p -76.87 92.3 3.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -140.93 84.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.6 -36.59 18.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.522 ' O ' HG13 ' D' ' 21' ' ' VAL . 7.4 p -85.0 71.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.227 0.537 . . . . 0.0 110.983 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' D' ' 25' ' ' THR . 15.1 t70 -102.66 145.51 29.57 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.204 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.521 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -52.06 -43.59 63.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.248 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.35 75.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.031 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.66 ' O ' HG23 ' D' ' 29' ' ' VAL . 18.6 m -63.01 -39.57 95.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.706 ' O ' HG23 ' D' ' 30' ' ' VAL . 78.9 t80 -64.95 -52.97 53.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.826 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -53.74 -49.28 68.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.752 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -66.82 -48.8 67.81 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.165 0.432 . . . . 0.0 112.165 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.66 HG23 ' O ' ' D' ' 25' ' ' THR . 75.3 t -63.49 -42.21 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.706 HG23 ' O ' ' D' ' 26' ' ' PHE . 51.8 t -69.89 -44.96 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 112.034 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -64.11 -45.54 88.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 110.978 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.98 -41.25 95.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.388 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.53 ' HZ ' HG22 ' C' ' 25' ' ' THR . 3.8 t80 -68.46 -48.41 64.6 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.43 ' HB3' HG21 ' D' ' 39' ' ' VAL . 28.5 m-85 -78.07 -31.18 50.05 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -29.09 45.04 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.993 0.425 . . . . 0.0 111.069 178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -61.14 -17.23 51.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.053 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.443 ' OD1' HG23 ' D' ' 39' ' ' VAL . 11.4 p30 -104.14 -17.85 14.75 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.24 16.42 2.13 Favored Glycine 0 CA--C 1.522 0.484 0 C-N-CA 120.241 -0.98 . . . . 0.0 113.855 178.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.443 HG23 ' OD1' ' D' ' 37' ' ' ASN . 22.0 t -89.27 143.19 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.221 0.511 . . . . 0.0 111.052 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -154.28 -179.41 7.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.922 0.391 . . . . 0.0 111.146 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.17 -145.08 18.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.503 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -149.74 157.05 42.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.851 0.358 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . 0.41 ' CZ3' ' HB2' ' B' ' 52' ' ' PHE . 88.5 m95 -72.83 120.44 18.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . 0.412 HG21 ' OG1' ' B' ' 53' ' ' THR . 51.9 p -114.55 139.23 49.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.778 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -71.14 144.5 50.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.457 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -71.54 156.96 38.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -66.85 136.06 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.12 140.61 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.702 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -136.28 156.47 48.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.793 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -117.8 148.27 42.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 11.6 m -142.37 131.25 22.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.263 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -81.68 118.34 22.75 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.496 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -93.04 124.48 37.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.234 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -71.03 155.54 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 53.0 m -147.89 -68.16 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.81 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.004 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.734 0.302 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.67 123.28 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.569 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.672 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 36.9 m-85 -110.88 132.77 53.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.34 0.591 . . . . 0.0 112.082 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -106.44 129.32 54.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.36 123.11 11.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.843 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 mt -96.55 117.22 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.58 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' HA ' HG11 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -106.08 122.71 46.72 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.838 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -155.17 111.0 3.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.948 0.404 . . . . 0.0 111.63 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.51 78.56 0.57 Allowed Glycine 0 CA--C 1.518 0.246 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.667 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -123.46 176.11 6.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.662 0.268 . . . . 0.0 110.848 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.31 147.21 39.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.074 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 tp -86.08 -48.2 8.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.068 0.461 . . . . 0.0 110.752 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -154.98 94.9 1.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.805 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 171.89 142.9 3.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.3 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.71 101.73 8.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.814 0.34 . . . . 0.0 111.086 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 t -101.58 144.5 30.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.706 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.4 m -98.07 -35.75 10.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.079 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -142.3 143.28 32.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.82 144.72 49.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.968 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.84 -57.92 2.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' A' ' 7' ' ' LEU . 17.3 t -96.12 90.58 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.837 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.491 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.8 t70 -100.61 137.69 38.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.811 -179.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.677 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -45.21 -44.35 10.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.851 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -24.52 66.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.473 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.609 ' O ' HG23 ' A' ' 29' ' ' VAL . 96.4 m -60.73 -40.06 90.98 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.075 0.464 . . . . 0.0 110.38 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.661 ' O ' HG23 ' A' ' 30' ' ' VAL . 26.3 t80 -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.43 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 39.1 mt-10 -54.97 -52.74 62.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.135 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -67.39 -48.1 68.37 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.617 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 57.5 t -63.58 -42.01 94.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 26' ' ' PHE . 62.0 t -69.98 -46.2 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -63.42 -45.27 91.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.004 0.431 . . . . 0.0 110.408 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -62.83 -46.02 89.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.143 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.618 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.9 t80 -67.86 -46.35 71.97 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.519 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 37.3 m-85 -75.32 -32.75 61.03 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -30.65 60.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.059 0.457 . . . . 0.0 111.15 178.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -62.24 -17.87 59.59 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.272 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.721 ' OD1' HG23 ' A' ' 39' ' ' VAL . 21.8 p30 -106.12 -20.86 13.28 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.65 13.62 2.02 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 120.206 -0.997 . . . . 0.0 114.335 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.721 HG23 ' OD1' ' A' ' 37' ' ' ASN . 24.8 t -89.01 143.22 11.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 117.668 0.734 . . . . 0.0 110.635 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -156.84 -178.22 7.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.125 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.04 -145.42 17.68 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.261 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -148.61 156.11 41.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 111.056 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 88.8 m95 -72.9 117.1 14.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.034 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -111.05 138.58 47.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.533 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -70.24 142.73 52.32 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.624 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.4 158.0 37.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.982 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.55 132.48 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.772 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.36 141.14 37.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.13 0.491 . . . . 0.0 111.866 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.4 m -137.76 156.73 47.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.564 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -125.72 125.03 42.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.878 0.37 . . . . 0.0 111.275 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.9 m -110.36 134.26 52.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.467 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -81.03 118.13 22.22 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.2 m -92.07 121.88 34.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.324 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 55' ' ' THR . 6.4 t -71.85 156.11 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.405 ' N ' HG12 ' A' ' 54' ' ' VAL . 88.4 m -150.23 -71.68 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.807 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.042 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.751 0.31 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.75 123.34 33.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.612 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.677 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.2 m-85 -110.83 132.66 54.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.29 0.566 . . . . 0.0 112.122 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -106.42 129.37 54.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.36 123.36 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mt -96.85 117.18 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 111.556 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.475 ' HA ' HG11 ' B' ' 21' ' ' VAL . 0.5 OUTLIER -105.79 122.78 46.78 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -155.01 109.54 2.97 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.921 0.391 . . . . 0.0 111.435 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.16 37.65 3.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.724 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 37.6 mttp -98.1 131.77 44.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.79 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 17.3 m -98.65 95.74 7.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 37.8 mt -114.97 -38.67 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -172.79 153.57 2.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.68 -161.65 42.74 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.597 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 60.25 95.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 10.0 t -68.06 158.13 33.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.3 p 55.8 -169.73 0.08 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.404 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.8 t -82.06 165.04 20.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.338 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -151.97 151.64 31.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.447 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.93 65.96 1.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.83 0.348 . . . . 0.0 111.705 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' B' ' 7' ' ' LEU . 18.6 t -99.15 91.25 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.065 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.502 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.1 t70 -100.44 137.65 38.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.183 0.516 . . . . 0.0 112.053 -179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.672 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -45.19 -44.3 10.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.791 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -24.68 66.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.413 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.616 ' O ' HG23 ' B' ' 29' ' ' VAL . 95.7 m -60.6 -40.14 90.7 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.18 0.514 . . . . 0.0 110.389 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.65 ' O ' HG23 ' B' ' 30' ' ' VAL . 26.3 t80 -68.87 -47.19 66.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.523 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.425 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 38.2 mt-10 -55.08 -52.55 62.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.221 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -67.36 -48.3 67.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.618 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 57.4 t -63.35 -42.08 95.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' B' ' 26' ' ' PHE . 61.8 t -69.91 -46.45 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -63.24 -45.27 92.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.993 0.425 . . . . 0.0 110.43 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -62.76 -45.99 90.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.163 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.617 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.8 t80 -67.93 -46.39 71.64 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.508 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 37.5 m-85 -75.27 -32.86 61.18 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -30.61 60.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.966 0.413 . . . . 0.0 111.163 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.25 -17.91 59.71 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.271 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.71 ' OD1' HG23 ' B' ' 39' ' ' VAL . 21.7 p30 -106.04 -20.96 13.26 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.78 13.82 1.97 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.224 -0.989 . . . . 0.0 114.263 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.71 HG23 ' OD1' ' B' ' 37' ' ' ASN . 25.4 t -89.18 143.09 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 117.711 0.756 . . . . 0.0 110.583 179.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -156.71 -177.98 7.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.095 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.88 -145.53 17.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.145 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -148.65 156.05 41.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 111.041 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 89.0 m95 -72.85 116.84 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -110.83 138.63 46.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.555 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.3 142.59 52.23 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.624 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.452 ' CG ' ' HG1' ' D' ' 51' ' ' THR . 1.0 OUTLIER -71.37 157.94 37.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.681 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.48 132.81 49.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.67 141.46 37.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.042 0.448 . . . . 0.0 111.868 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 34.8 m -138.36 156.95 47.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.457 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -125.81 125.2 42.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.96 0.41 . . . . 0.0 111.298 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.435 ' HG1' ' CG ' ' D' ' 46' ' ' ASP . 20.1 m -110.14 134.17 52.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.415 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -81.07 118.1 22.21 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.202 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 97.0 m -91.97 121.99 34.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.318 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.415 HG12 ' N ' ' B' ' 55' ' ' THR . 6.2 t -71.96 156.16 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 111.071 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.415 ' N ' HG12 ' B' ' 54' ' ' VAL . 89.0 m -150.15 -71.63 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.078 179.733 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.87 0.367 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -89.35 123.24 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.588 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.667 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 36.7 m-85 -110.94 132.9 53.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.352 0.596 . . . . 0.0 112.095 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -106.54 129.36 54.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.41 123.23 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.726 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 24.8 mt -96.61 117.12 40.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.356 . . . . 0.0 111.554 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.457 ' HA ' HG11 ' C' ' 21' ' ' VAL . 0.5 OUTLIER -106.01 122.4 46.08 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -153.88 109.08 3.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 111.21 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.11 45.47 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.789 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.68 154.96 31.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 8.9 t -169.67 136.11 1.58 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.609 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.557 HD12 ' N ' ' C' ' 12' ' ' LEU . 5.9 mp -79.24 -49.64 12.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -157.8 174.44 15.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.047 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.47 72.25 0.91 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.672 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -69.66 108.37 3.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.341 . . . . 0.0 110.667 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 26.1 m -96.4 102.2 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.17 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 95.8 m 63.5 -79.22 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.243 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 77.1 p -156.86 162.73 39.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -150.62 113.87 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.62 50.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.344 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' C' ' 7' ' ' LEU . 20.7 t -93.89 90.45 2.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.527 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.49 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.6 t70 -99.8 137.42 38.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.228 0.537 . . . . 0.0 112.165 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.667 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -45.18 -44.12 10.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.745 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -24.63 66.15 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.345 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.622 ' O ' HG23 ' C' ' 29' ' ' VAL . 96.0 m -60.6 -40.25 91.12 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.052 0.453 . . . . 0.0 110.291 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.645 ' O ' HG23 ' C' ' 30' ' ' VAL . 25.8 t80 -68.68 -47.3 66.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.598 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.422 ' HG2' ' CE2' ' C' ' 43' ' ' TRP . 38.5 mt-10 -54.94 -52.66 62.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.727 -0.67 . . . . 0.0 112.146 -179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -67.36 -48.27 67.94 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.622 HG23 ' O ' ' C' ' 25' ' ' THR . 58.3 t -63.42 -42.23 95.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 112.246 0.462 . . . . 0.0 112.246 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.645 HG23 ' O ' ' C' ' 26' ' ' PHE . 59.1 t -69.69 -46.38 75.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -63.22 -45.28 92.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.008 0.432 . . . . 0.0 110.473 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -62.87 -46.13 89.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.116 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.622 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.8 t80 -67.76 -46.46 72.02 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 37.3 m-85 -75.28 -32.67 61.09 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.63 -30.41 60.9 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.958 0.408 . . . . 0.0 111.126 178.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -62.27 -18.01 60.09 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.197 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.723 ' OD1' HG23 ' C' ' 39' ' ' VAL . 21.9 p30 -105.96 -20.95 13.27 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.91 13.68 1.96 Allowed Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.168 -1.015 . . . . 0.0 114.242 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.723 HG23 ' OD1' ' C' ' 37' ' ' ASN . 25.7 t -89.13 143.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 117.645 0.722 . . . . 0.0 110.602 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -156.84 -178.28 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.932 0.396 . . . . 0.0 111.026 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.13 -145.33 17.62 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.276 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -148.8 156.15 41.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . 0.422 ' CE2' ' HG2' ' C' ' 27' ' ' GLU . 88.9 m95 -72.97 116.97 14.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.8 p -110.87 138.7 46.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.599 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.3 142.69 52.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.651 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.54 157.94 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.976 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -66.37 132.78 49.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.748 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.55 141.21 38.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.883 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 32.1 m -137.78 156.66 47.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.483 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -125.71 125.04 42.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.939 0.4 . . . . 0.0 111.248 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 20.2 m -110.29 134.22 52.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.454 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -81.13 118.01 22.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.217 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 96.9 m -92.07 121.97 34.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.213 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.415 HG12 ' N ' ' C' ' 55' ' ' THR . 6.4 t -71.74 156.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.111 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.415 ' N ' HG12 ' C' ' 54' ' ' VAL . 87.3 m -150.42 -71.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.875 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.213 -0.899 . . . . 0.0 111.072 179.791 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.743 0.306 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -89.38 123.17 33.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.606 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.667 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.0 m-85 -110.88 132.68 54.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.388 0.613 . . . . 0.0 112.183 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -106.4 129.44 54.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.42 122.99 11.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.754 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mt -96.29 116.97 39.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 111.482 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.475 ' HA ' HG11 ' D' ' 21' ' ' VAL . 0.5 OUTLIER -104.19 121.49 43.38 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 178.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -161.35 -44.58 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.428 0.632 . . . . 0.0 110.279 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.87 -122.9 6.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.48 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 26.8 tttp 57.24 88.59 0.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.879 0.371 . . . . 0.0 110.978 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -164.49 172.63 13.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 tp 58.24 103.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -67.84 100.86 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.108 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.78 -106.64 0.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.442 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -129.18 150.06 50.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.51 -61.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 8.0 m 67.9 -69.11 0.15 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 9.5 t -114.18 142.82 45.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.671 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.11 122.41 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.37 -68.93 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' D' ' 7' ' ' LEU . 18.1 t -96.94 91.53 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.495 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.8 t70 -100.68 137.51 38.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.92 -179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.667 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -45.15 -44.35 10.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.773 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.68 -24.56 66.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.39 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.612 ' O ' HG23 ' D' ' 29' ' ' VAL . 95.6 m -60.68 -40.07 90.81 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.179 0.514 . . . . 0.0 110.34 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.654 ' O ' HG23 ' D' ' 30' ' ' VAL . 26.1 t80 -68.95 -47.06 66.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.56 178.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . 0.429 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 37.6 mt-10 -55.01 -52.72 62.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.109 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -67.53 -48.15 67.86 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.622 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 57.6 t -63.42 -42.14 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.654 HG23 ' O ' ' D' ' 26' ' ' PHE . 61.8 t -69.93 -46.28 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -63.29 -45.38 91.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.423 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -62.71 -45.99 90.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.158 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.611 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.8 t80 -68.0 -46.39 71.43 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.505 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 37.6 m-85 -75.26 -32.7 61.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.54 -30.6 61.04 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.138 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -62.26 -17.8 59.48 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.989 -0.55 . . . . 0.0 112.258 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.711 ' OD1' HG23 ' D' ' 39' ' ' VAL . 21.8 p30 -106.12 -20.93 13.26 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.73 13.77 1.98 Allowed Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.226 -0.988 . . . . 0.0 114.288 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.711 HG23 ' OD1' ' D' ' 37' ' ' ASN . 25.2 t -89.16 143.2 11.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 117.632 0.716 . . . . 0.0 110.542 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -156.82 -178.03 7.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.03 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.86 -145.63 17.81 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.222 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -148.55 155.89 41.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 111.095 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . 0.429 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 88.9 m95 -72.72 117.05 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 59.0 p -110.94 138.57 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.51 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -70.2 142.78 52.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.653 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . 0.435 ' CG ' ' HG1' ' B' ' 51' ' ' THR . 1.0 OUTLIER -71.49 157.87 37.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.62 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.41 132.61 48.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.752 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.2 140.62 38.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.912 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 32.9 m -136.96 156.55 48.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.558 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -125.6 124.98 42.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.957 0.408 . . . . 0.0 111.235 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . 0.452 ' HG1' ' CG ' ' B' ' 46' ' ' ASP . 19.8 m -110.56 134.16 52.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.431 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -81.06 117.99 22.12 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.224 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -91.76 121.8 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.305 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.415 HG12 ' N ' ' D' ' 55' ' ' THR . 6.3 t -71.8 156.11 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.968 0.413 . . . . 0.0 111.103 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.415 ' N ' HG12 ' D' ' 54' ' ' VAL . 88.3 m -150.07 -71.74 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.211 -0.899 . . . . 0.0 111.104 179.695 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.816 0.341 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.61 ' HG3' HG23 ' D' ' 49' ' ' THR . 0.9 OUTLIER -91.78 125.51 36.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.049 179.175 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.477 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 43.4 m-85 -109.68 134.63 51.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.319 0.58 . . . . 0.0 112.488 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -106.57 126.99 52.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.487 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.92 130.25 30.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.371 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -97.14 133.12 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 26' ' ' PHE . 0.4 OUTLIER -134.2 120.17 19.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.317 179.327 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -152.99 -69.3 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.182 0.515 . . . . 0.0 110.528 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.51 71.74 0.59 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.519 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -159.88 143.37 14.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 0.0 110.679 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -120.93 164.15 17.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.139 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.6 tp -89.76 -34.95 16.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.068 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 mmtm -106.13 91.04 3.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.29 158.27 9.48 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.38 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -92.08 173.92 7.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.1 m -65.04 152.89 42.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.809 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.89 -51.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -161.1 130.05 4.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.73 179.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' B' ' 37' ' ' ASN . . . -164.62 -63.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.558 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.583 HG12 ' CE1' ' B' ' 34' ' ' PHE . 3.2 m -87.46 92.16 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.109 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.9 t70 -102.26 143.41 32.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.112 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.45 -43.25 55.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.38 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.81 -32.55 73.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.086 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.665 ' O ' HG23 ' A' ' 29' ' ' VAL . 28.5 m -63.27 -41.43 99.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.355 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.742 ' O ' HG23 ' A' ' 30' ' ' VAL . 59.4 t80 -65.08 -53.57 43.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.027 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 30.6 mt-10 -54.22 -49.02 70.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.081 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.65 -50.4 65.12 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 25' ' ' THR . 57.6 t -61.72 -39.59 83.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.9 t -69.0 -45.63 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.797 -179.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.7 tttt -64.5 -45.06 88.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.059 0.457 . . . . 0.0 110.668 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -64.31 -43.3 95.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.335 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.648 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 3.9 t80 -67.52 -47.59 69.5 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CE1' HG12 ' B' ' 21' ' ' VAL . 29.7 m-85 -78.28 -32.29 49.4 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.18 -29.15 30.14 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.008 0.432 . . . . 0.0 111.171 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -61.3 -17.14 52.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.143 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.504 ' OD1' HG23 ' A' ' 39' ' ' VAL . 12.3 p30 -103.9 -18.03 14.78 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.63 17.22 2.15 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.704 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 34' ' ' PHE . 25.6 t -88.43 143.23 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 117.084 0.442 . . . . 0.0 110.899 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -152.96 178.55 9.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.896 0.379 . . . . 0.0 111.114 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.76 -144.68 17.58 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.368 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -150.12 157.39 43.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 0.0 110.983 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 85.6 m95 -73.52 122.08 21.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.9 p -114.79 138.19 51.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.659 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -71.83 143.67 49.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.744 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.38 156.72 39.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.691 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.5 141.56 55.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.775 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.57 138.59 51.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.589 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.601 HG23 ' HG3' ' D' ' 2' ' ' GLN . 56.0 m -128.55 156.67 42.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.11 137.58 52.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.762 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.2 m -136.64 126.38 25.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -80.76 124.8 29.35 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.633 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -99.11 122.26 42.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.261 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.88 155.72 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.929 0.395 . . . . 0.0 111.153 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.2 m -150.73 -70.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.958 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.853 0.359 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.62 ' HG3' HG23 ' C' ' 49' ' ' THR . 0.9 OUTLIER -91.94 125.63 36.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.065 179.249 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.474 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 44.1 m-85 -109.83 134.66 51.79 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -106.65 127.0 53.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.485 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.97 130.39 30.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.481 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 12.6 mt -97.41 132.14 42.74 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.433 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.531 HD22 ' HB2' ' B' ' 26' ' ' PHE . 0.4 OUTLIER -134.7 122.13 21.76 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.679 179.49 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -146.61 122.03 10.33 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 121.441 0.639 . . . . 0.0 112.238 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.11 61.46 0.45 Allowed Glycine 0 CA--C 1.518 0.254 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.694 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -151.69 121.41 6.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.969 0.414 . . . . 0.0 111.014 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 66.4 p 52.02 76.79 0.17 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.576 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.811 HD22 ' HB1' ' B' ' 20' ' ' ALA . 9.5 mp -108.9 -33.09 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.637 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -150.75 84.93 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.742 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.76 -77.79 0.2 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.548 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.634 ' O ' HG23 ' B' ' 17' ' ' THR . 6.3 mt-10 -97.53 175.59 6.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 110.976 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.8 t -58.98 -33.48 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.232 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.634 HG23 ' O ' ' B' ' 15' ' ' GLU . 12.2 p 55.75 -170.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 23.1 p -127.49 149.38 50.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.037 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 60.88 85.94 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.811 ' HB1' HD22 ' B' ' 12' ' ' LEU . . . -144.3 60.27 1.35 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.285 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.539 HG12 ' CE1' ' A' ' 34' ' ' PHE . 2.4 m 38.77 96.17 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.053 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' B' ' 25' ' ' THR . 14.6 t70 -102.0 142.65 32.94 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 121.402 0.62 . . . . 0.0 111.92 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.477 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.75 -43.36 58.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.457 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.48 -32.64 74.12 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.045 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.669 ' O ' HG23 ' B' ' 29' ' ' VAL . 27.5 m -63.3 -41.38 98.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.73 ' O ' HG23 ' B' ' 30' ' ' VAL . 59.3 t80 -64.94 -53.66 42.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.97 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 29.6 mt-10 -54.29 -48.95 70.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.033 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -65.7 -50.43 64.89 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 25' ' ' THR . 57.7 t -61.71 -39.65 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.73 HG23 ' O ' ' B' ' 26' ' ' PHE . 62.9 t -68.89 -45.88 79.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.789 -179.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -64.37 -45.11 89.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 110.538 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -64.2 -43.47 94.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.405 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.645 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 3.9 t80 -67.28 -47.61 70.15 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.583 ' CE1' HG12 ' A' ' 21' ' ' VAL . 29.1 m-85 -78.21 -32.46 49.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.06 -29.14 28.27 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 122.033 -0.417 . . . . 0.0 111.112 179.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -61.24 -17.11 51.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.149 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.62 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 12.4 p30 -104.09 -18.01 14.71 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.59 17.54 2.11 Favored Glycine 0 CA--C 1.521 0.468 0 C-N-CA 120.184 -1.008 . . . . 0.0 113.68 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 34' ' ' PHE . 25.2 t -88.71 143.25 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.091 0.445 . . . . 0.0 110.836 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -153.12 178.04 10.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.916 0.389 . . . . 0.0 111.103 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.47 -144.5 17.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.315 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -150.3 157.35 42.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 85.5 m95 -73.63 122.16 21.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.112 0.482 . . . . 0.0 111.073 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.404 HG21 ' OG1' ' D' ' 53' ' ' THR . 67.9 p -114.86 138.31 50.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.632 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -71.94 143.65 49.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.691 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.48 156.84 38.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.673 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.52 141.59 55.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.839 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.69 138.8 52.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.572 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.616 HG23 ' HG3' ' C' ' 2' ' ' GLN . 57.0 m -129.11 156.75 43.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.024 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -116.12 137.61 51.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.978 0.418 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 33.3 m -136.53 126.39 25.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.249 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -80.63 124.43 28.98 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.723 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.407 ' OG1' HG21 ' D' ' 44' ' ' THR . 84.7 m -98.92 122.31 42.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.272 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.07 155.6 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.86 0.362 . . . . 0.0 111.218 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.8 m -150.74 -70.5 0.18 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.047 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.877 0.37 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.616 ' HG3' HG23 ' B' ' 49' ' ' THR . 1.0 OUTLIER -91.87 125.72 36.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.978 179.281 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.469 ' CD1' ' CD1' ' D' ' 26' ' ' PHE . 43.3 m-85 -109.87 134.59 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.354 0.597 . . . . 0.0 112.494 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -106.54 126.73 52.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.48 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -139.75 130.16 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.426 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 12.2 mt -97.01 133.2 39.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.521 HD22 ' HB2' ' C' ' 26' ' ' PHE . 0.4 OUTLIER -134.25 119.97 19.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.286 179.309 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -153.24 -72.97 0.14 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.171 0.51 . . . . 0.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.8 64.87 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.451 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt 62.38 152.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -101.62 146.38 27.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 60.39 112.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -131.75 150.57 52.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.693 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.1 39.5 0.46 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -171.82 164.13 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.833 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 88.2 m -60.75 110.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.649 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.08 150.73 49.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.189 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -92.7 138.92 31.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.6 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -75.41 160.56 30.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.975 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' D' ' 37' ' ' ASN . . . -137.87 -71.83 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.554 HG12 ' CE1' ' D' ' 34' ' ' PHE . 3.1 m -85.0 91.28 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.147 0.498 . . . . 0.0 110.957 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.431 ' O ' ' HB ' ' C' ' 25' ' ' THR . 14.2 t70 -102.26 143.29 32.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.189 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.441 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -50.26 -43.29 53.17 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.378 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.67 -32.7 74.18 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.654 ' O ' HG23 ' C' ' 29' ' ' VAL . 28.7 m -63.21 -41.58 99.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.745 ' O ' HG23 ' C' ' 30' ' ' VAL . 59.0 t80 -64.84 -53.77 41.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.949 179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 29.5 mt-10 -54.21 -48.82 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.083 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -65.86 -50.32 65.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.654 HG23 ' O ' ' C' ' 25' ' ' THR . 57.3 t -61.8 -39.66 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.745 HG23 ' O ' ' C' ' 26' ' ' PHE . 62.2 t -68.92 -45.68 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.745 -179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 53.5 tttt -64.5 -45.01 89.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.02 0.438 . . . . 0.0 110.59 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -64.35 -43.25 95.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.368 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.647 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 3.9 t80 -67.4 -47.66 69.64 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.55 ' CE1' HG12 ' D' ' 21' ' ' VAL . 29.1 m-85 -78.25 -32.28 49.61 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -53.27 -29.13 31.33 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 120.95 0.405 . . . . 0.0 111.14 179.15 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -61.25 -17.19 52.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.154 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.514 ' OD1' HG23 ' C' ' 39' ' ' VAL . 12.4 p30 -103.91 -18.14 14.73 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.84 17.27 2.1 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.276 -0.964 . . . . 0.0 113.783 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.516 HG21 ' HB3' ' C' ' 34' ' ' PHE . 24.7 t -88.31 143.3 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.099 0.45 . . . . 0.0 110.881 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -153.22 178.13 10.08 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.961 0.41 . . . . 0.0 111.082 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.23 -144.63 17.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.317 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -150.14 157.26 42.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 85.2 m95 -73.53 122.02 21.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.112 0.482 . . . . 0.0 111.095 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.8 p -114.75 138.25 50.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.647 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -71.79 143.82 49.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.686 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.57 156.74 39.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.691 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.51 141.7 55.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.66 138.69 52.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.626 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . 0.62 HG23 ' HG3' ' B' ' 2' ' ' GLN . 56.5 m -128.63 156.59 43.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.02 137.73 51.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.738 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 33.2 m -136.82 126.34 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.229 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -80.67 124.6 29.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.637 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -99.05 122.29 42.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.257 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.84 155.71 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.375 . . . . 0.0 111.159 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 72.4 m -150.74 -70.71 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.944 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.947 179.853 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . 0.601 ' HG3' HG23 ' A' ' 49' ' ' THR . 0.9 OUTLIER -91.78 125.62 36.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.055 179.202 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.463 ' CD1' ' CD1' ' C' ' 26' ' ' PHE . 43.7 m-85 -109.81 134.5 51.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.381 0.61 . . . . 0.0 112.405 -178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 18.2 ttpt -106.5 126.79 52.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.477 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.63 130.19 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.424 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 12.8 mt -97.14 132.99 40.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' D' ' 26' ' ' PHE . 0.4 OUTLIER -134.2 120.06 19.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.302 179.297 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -152.87 -73.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.141 0.496 . . . . 0.0 110.658 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.38 85.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.291 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -103.64 89.27 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 111.082 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 1.6 p -139.43 146.78 40.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt -77.02 177.96 7.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttt 63.71 134.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.017 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.74 143.55 45.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.697 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 60.36 75.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.337 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 12.1 t -71.29 -34.76 70.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 22.2 m 67.83 -68.87 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 11.4 p -66.45 109.41 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.6 116.75 11.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.037 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' C' ' 37' ' ' ASN . . . -80.19 -78.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.783 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.55 HG12 ' CE1' ' C' ' 34' ' ' PHE . 2.8 m -85.02 93.71 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' D' ' 25' ' ' THR . 13.9 t70 -102.28 143.37 32.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.359 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.444 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -50.44 -43.44 55.06 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.352 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.71 -32.51 73.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.663 ' O ' HG23 ' D' ' 29' ' ' VAL . 28.9 m -63.23 -41.56 99.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.356 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.75 ' O ' HG23 ' D' ' 30' ' ' VAL . 59.0 t80 -64.89 -53.74 41.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.964 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 29.7 mt-10 -54.3 -48.78 70.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.098 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -65.81 -50.39 64.84 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.663 HG23 ' O ' ' D' ' 25' ' ' THR . 57.9 t -61.7 -39.63 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.75 HG23 ' O ' ' D' ' 26' ' ' PHE . 61.7 t -68.97 -45.8 79.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.752 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -64.36 -45.04 89.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.01 0.433 . . . . 0.0 110.522 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -64.38 -43.46 94.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.32 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.64 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 3.9 t80 -67.26 -47.59 70.25 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.554 ' CE1' HG12 ' C' ' 21' ' ' VAL . 29.3 m-85 -78.3 -32.27 49.27 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.27 -29.14 31.4 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.899 0.381 . . . . 0.0 111.086 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -61.2 -17.18 51.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.064 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.511 ' OD1' HG23 ' D' ' 39' ' ' VAL . 12.4 p30 -103.93 -18.1 14.74 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.61 17.57 2.1 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.211 -0.995 . . . . 0.0 113.688 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.511 HG23 ' OD1' ' D' ' 37' ' ' ASN . 25.9 t -88.67 143.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 117.094 0.447 . . . . 0.0 110.799 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -153.06 178.27 9.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.916 0.389 . . . . 0.0 111.101 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.15 -144.71 17.39 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.354 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -150.13 157.31 42.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.971 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 85.0 m95 -73.61 122.07 21.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.077 0.465 . . . . 0.0 111.111 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . 0.407 HG21 ' OG1' ' B' ' 53' ' ' THR . 66.8 p -114.74 138.14 51.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.669 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.76 143.51 49.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.742 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.36 156.71 39.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.763 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.37 141.53 55.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.748 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.58 138.49 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.57 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . 0.61 HG23 ' HG3' ' A' ' 2' ' ' GLN . 55.2 m -128.29 156.57 42.83 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -116.13 137.33 52.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.782 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 34.0 m -136.58 126.41 25.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.251 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -80.58 124.44 28.97 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.666 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . 0.404 ' OG1' HG21 ' B' ' 44' ' ' THR . 85.1 m -98.85 122.26 41.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.338 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.02 155.7 7.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.401 . . . . 0.0 111.187 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 73.2 m -150.71 -70.54 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.982 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.756 0.313 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -87.18 123.12 31.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.657 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.414 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 36.0 m-85 -108.67 129.53 55.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.347 0.594 . . . . 0.0 112.098 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.2 125.64 51.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.605 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.505 HG12 HD12 ' A' ' 7' ' ' LEU . 17.5 t -142.34 125.58 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.247 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.58 124.57 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.491 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.758 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp -134.55 113.55 11.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.077 179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -153.03 -63.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.064 0.459 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.96 -47.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.751 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 mmtm 61.53 111.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 0.0 111.161 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 t -155.11 147.91 24.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.702 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 tp -166.77 -54.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.98 0.419 . . . . 0.0 111.06 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -152.03 95.46 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.52 -127.39 1.13 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.458 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -78.03 167.55 21.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.6 t -83.09 154.11 24.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p 51.51 179.94 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.332 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.4 p -140.47 150.88 44.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.05 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -171.36 74.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.66 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.75 -65.8 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.234 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG12 ' HE2' ' B' ' 34' ' ' PHE . 4.0 m -98.75 85.45 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.218 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.1 t70 -101.99 144.36 30.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.337 0.589 . . . . 0.0 111.605 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.57 -42.99 56.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.328 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.45 -29.52 69.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' VAL . 87.2 m -62.2 -39.41 92.63 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.075 0.464 . . . . 0.0 110.401 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 30' ' ' VAL . 16.9 t80 -67.82 -50.41 56.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.861 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -53.75 -54.63 35.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.368 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.75 -50.44 64.74 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.652 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 55.3 t -62.96 -42.21 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.2 t -70.57 -45.77 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.32 -46.08 88.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.076 0.465 . . . . 0.0 110.399 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.59 -46.79 86.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.25 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.648 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.5 t80 -67.13 -45.9 75.72 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.75 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 35.4 m-85 -75.07 -34.63 61.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.943 0.719 . . . . 0.0 112.943 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.38 -31.65 61.97 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.016 0.436 . . . . 0.0 110.931 178.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -62.14 -17.62 58.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.062 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' A' ' 39' ' ' VAL . 17.9 p30 -105.53 -21.54 13.19 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.0 14.31 1.85 Allowed Glycine 0 CA--C 1.523 0.58 0 C-N-CA 120.308 -0.948 . . . . 0.0 114.239 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.662 HG23 ' OD1' ' A' ' 37' ' ' ASN . 31.6 t -88.96 143.29 11.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 117.581 0.69 . . . . 0.0 110.492 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.5 179.03 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 111.104 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.87 -144.82 17.59 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.391 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -149.01 156.13 41.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -73.89 118.15 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.14 0.495 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.2 p -110.91 141.28 44.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.527 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -69.75 143.98 52.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.897 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.32 159.26 34.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.033 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -66.32 128.97 38.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.515 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.28 142.35 32.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.868 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -136.49 156.6 48.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.562 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -124.27 119.85 30.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.988 0.423 . . . . 0.0 111.426 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 44.4 m -106.58 131.94 53.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.394 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -80.47 117.33 21.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.293 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -91.51 124.11 35.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.408 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 55' ' ' THR . 8.6 t -72.03 156.81 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.982 0.42 . . . . 0.0 111.112 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.428 ' N ' HG12 ' A' ' 54' ' ' VAL . 69.8 m -150.13 -69.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.825 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.046 179.845 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.73 0.3 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -87.25 122.99 31.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.655 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.42 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 36.0 m-85 -108.65 129.4 55.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.291 0.567 . . . . 0.0 112.143 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.07 125.74 51.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.62 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.52 HG12 HD12 ' B' ' 7' ' ' LEU . 17.5 t -142.41 125.57 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.281 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.55 124.46 46.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.441 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.75 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp -134.67 113.43 11.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.172 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -152.62 -66.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.978 0.418 . . . . 0.0 111.114 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 144.85 70.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.429 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -70.07 165.05 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.03 75.09 0.2 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.441 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 74.3 mt -101.83 -33.71 9.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -101.46 178.21 4.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.29 -84.29 1.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.628 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -151.21 126.95 10.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.053 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.4 m -93.61 143.46 26.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.602 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -138.15 -62.37 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.21 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 29.7 p -154.35 118.52 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.92 0.391 . . . . 0.0 111.199 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -169.8 143.97 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.668 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.81 44.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.437 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.55 HG12 ' HE2' ' A' ' 34' ' ' PHE . 3.7 m -97.57 85.31 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.955 0.407 . . . . 0.0 110.843 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' B' ' 25' ' ' THR . 29.1 t70 -101.85 144.33 30.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.641 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.5 -43.0 55.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.284 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.56 69.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.591 ' O ' HG23 ' B' ' 29' ' ' VAL . 88.3 m -62.08 -39.47 92.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.054 0.454 . . . . 0.0 110.421 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.62 ' O ' HG23 ' B' ' 30' ' ' VAL . 16.9 t80 -67.9 -50.42 56.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.805 179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -53.8 -54.46 38.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.335 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -65.95 -50.33 64.73 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.648 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 56.1 t -62.93 -42.25 95.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 26' ' ' PHE . 57.3 t -70.55 -45.93 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.2 -45.99 89.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.986 0.422 . . . . 0.0 110.445 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.53 -46.9 86.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.216 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.652 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.6 t80 -67.13 -45.98 75.5 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.758 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 35.3 m-85 -74.96 -34.72 62.09 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.33 -31.65 61.88 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.042 0.449 . . . . 0.0 110.899 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.13 -17.69 58.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.023 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' B' ' 39' ' ' VAL . 17.8 p30 -105.43 -21.64 13.18 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.01 14.41 1.84 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 120.284 -0.96 . . . . 0.0 114.161 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.662 HG23 ' OD1' ' B' ' 37' ' ' ASN . 30.5 t -89.0 143.31 11.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 117.622 0.711 . . . . 0.0 110.554 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.63 178.87 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 0.0 111.086 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.03 -144.9 17.55 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.416 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -148.92 156.13 41.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.75 118.14 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.159 0.504 . . . . 0.0 111.222 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 60.5 p -110.97 141.31 44.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.412 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -69.85 144.15 52.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.864 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.46 159.15 34.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.956 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.29 129.15 38.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.434 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.57 142.42 33.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.115 0.483 . . . . 0.0 111.859 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -136.44 156.61 48.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.511 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -124.36 119.72 30.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.981 0.42 . . . . 0.0 111.385 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -106.5 132.05 52.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.402 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -80.47 117.33 21.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.27 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 84.8 m -91.53 124.01 35.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.468 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.436 HG12 ' N ' ' B' ' 55' ' ' THR . 8.6 t -71.91 156.93 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.968 0.413 . . . . 0.0 111.146 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.436 ' N ' HG12 ' B' ' 54' ' ' VAL . 70.3 m -150.25 -69.35 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.759 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.992 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.428 ' HA ' ' HE3' ' C' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.709 0.29 . . . . 0.0 111.167 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -87.18 123.14 31.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.628 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.418 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 36.1 m-85 -108.73 129.53 55.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.326 0.584 . . . . 0.0 112.073 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -106.19 125.58 51.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.593 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.513 HG12 HD12 ' C' ' 7' ' ' LEU . 17.2 t -142.31 125.56 14.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.309 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.1 mt -93.59 124.46 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.434 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.741 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp -134.66 113.51 11.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.079 179.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -153.16 -64.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.062 0.458 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.14 -54.92 0.11 Allowed Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.594 -0.73 . . . . 0.0 112.123 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt 59.36 172.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.848 0.356 . . . . 0.0 111.184 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p 54.2 98.83 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.308 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.59 74.66 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 mtmm -143.17 -171.95 3.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.689 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.15 -103.48 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.424 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 60.3 179.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 111.07 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -60.1 150.05 30.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.19 -177.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.979 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 4.9 p 59.02 -177.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 19.4 pm0 -129.32 168.47 16.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.784 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.546 ' HB1' ' HB2' ' D' ' 37' ' ' ASN . . . -102.19 -46.66 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.093 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.545 HG12 ' HE2' ' D' ' 34' ' ' PHE . 3.5 m -98.06 85.47 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.771 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.9 t70 -101.69 144.39 30.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.406 0.622 . . . . 0.0 111.603 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.63 -42.93 56.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.246 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -29.53 68.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.607 ' O ' HG23 ' C' ' 29' ' ' VAL . 90.0 m -62.14 -39.43 92.56 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.048 0.452 . . . . 0.0 110.482 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.631 ' O ' HG23 ' C' ' 30' ' ' VAL . 16.8 t80 -67.78 -50.5 56.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.832 179.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -53.72 -54.63 35.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.283 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.74 -50.49 64.6 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 55.3 t -62.94 -42.21 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.631 HG23 ' O ' ' C' ' 26' ' ' PHE . 57.3 t -70.5 -45.98 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -63.17 -46.05 88.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.087 0.47 . . . . 0.0 110.439 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.54 -46.96 85.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.21 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.651 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.6 t80 -67.07 -45.81 76.19 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 112.311 0.485 . . . . 0.0 112.311 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.755 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 35.5 m-85 -75.07 -34.71 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.27 -31.73 61.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.024 0.44 . . . . 0.0 110.902 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -62.18 -17.52 58.33 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.994 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.675 ' OD1' HG23 ' C' ' 39' ' ' VAL . 17.9 p30 -105.52 -21.61 13.17 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.0 14.41 1.84 Allowed Glycine 0 CA--C 1.523 0.542 0 C-N-CA 120.323 -0.942 . . . . 0.0 114.178 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.675 HG23 ' OD1' ' C' ' 37' ' ' ASN . 31.7 t -89.03 143.27 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 117.614 0.707 . . . . 0.0 110.52 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.51 179.1 9.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.03 0.443 . . . . 0.0 111.086 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.89 -144.72 17.53 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.364 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -149.01 156.2 41.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.347 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.85 118.12 16.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.163 0.506 . . . . 0.0 111.214 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 58.6 p -110.99 141.29 44.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.499 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -69.82 144.04 52.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.833 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.36 159.25 34.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.974 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.33 129.16 38.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.499 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.53 142.48 33.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.112 0.482 . . . . 0.0 111.803 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -136.53 156.56 48.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.541 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -124.34 119.71 30.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.034 0.445 . . . . 0.0 111.461 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 44.7 m -106.37 131.95 52.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.388 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -80.45 117.27 21.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.264 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -91.45 124.0 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.411 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.436 HG12 ' N ' ' C' ' 55' ' ' THR . 8.9 t -71.97 156.88 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 0.0 111.151 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.436 ' N ' HG12 ' C' ' 54' ' ' VAL . 71.1 m -150.18 -69.38 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.781 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.075 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.758 0.313 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -87.12 123.06 31.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.682 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.417 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 36.0 m-85 -108.61 129.43 55.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.234 0.54 . . . . 0.0 112.119 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -106.17 125.78 51.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.598 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.511 HG12 HD12 ' D' ' 7' ' ' LEU . 17.2 t -142.41 125.52 14.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.258 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -93.49 124.48 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.506 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.755 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.1 mp -134.73 113.48 11.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.111 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -152.96 -64.24 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.088 0.47 . . . . 0.0 110.954 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.74 101.61 0.17 Allowed Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -59.49 154.23 17.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.006 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -137.94 145.76 42.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.038 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.473 HD23 ' N ' ' D' ' 13' ' ' LYS . 2.8 tt -148.06 141.55 25.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.806 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . 0.473 ' N ' HD23 ' D' ' 12' ' ' LEU . 1.6 ptpp? -66.73 89.24 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 175.42 -124.49 1.0 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.439 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 166.32 22.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.674 0.273 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 8.5 t -85.1 140.86 30.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 36.4 p -74.0 174.84 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 3.9 t -133.21 34.76 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.746 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 63.01 127.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.157 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.74 -63.42 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.563 HG12 ' HE2' ' C' ' 34' ' ' PHE . 3.7 m -98.46 85.73 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.044 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' D' ' 25' ' ' THR . 29.1 t70 -102.05 144.44 30.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.473 0.654 . . . . 0.0 111.503 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.65 -42.9 56.94 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.241 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.57 -29.59 68.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.607 ' O ' HG23 ' D' ' 29' ' ' VAL . 86.8 m -62.15 -39.27 92.06 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.43 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.635 ' O ' HG23 ' D' ' 30' ' ' VAL . 17.0 t80 -67.98 -50.39 55.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.811 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -53.71 -54.63 35.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.276 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -65.95 -50.35 64.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.651 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 55.8 t -62.95 -42.23 95.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.635 HG23 ' O ' ' D' ' 26' ' ' PHE . 57.6 t -70.49 -45.91 72.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.22 -46.04 88.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.008 0.432 . . . . 0.0 110.386 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -62.58 -46.85 86.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.238 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.6 t80 -67.08 -45.91 75.9 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.741 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 35.6 m-85 -75.13 -34.53 61.67 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -31.65 62.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.1 0.476 . . . . 0.0 110.966 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -62.15 -17.63 58.5 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.003 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.669 ' OD1' HG23 ' D' ' 39' ' ' VAL . 17.9 p30 -105.53 -21.55 13.19 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.85 14.54 1.85 Allowed Glycine 0 CA--C 1.523 0.545 0 C-N-CA 120.33 -0.938 . . . . 0.0 114.234 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.669 HG23 ' OD1' ' D' ' 37' ' ' ASN . 31.4 t -89.11 143.31 11.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 117.541 0.671 . . . . 0.0 110.505 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -155.59 178.93 9.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.097 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.02 -144.95 17.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.295 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -148.92 156.15 41.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.954 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -73.89 118.2 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.231 0.539 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 60.9 p -110.99 141.26 44.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.5 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -69.78 144.03 52.81 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.923 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 159.25 34.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.971 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.36 128.98 38.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.47 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.29 142.3 32.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.897 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -136.46 156.6 48.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.537 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -124.25 119.72 30.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.034 0.445 . . . . 0.0 111.458 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 44.7 m -106.42 132.07 52.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.389 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -80.54 117.35 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.182 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -91.48 124.0 35.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.472 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.435 HG12 ' N ' ' D' ' 55' ' ' THR . 8.7 t -71.89 156.95 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.937 0.399 . . . . 0.0 111.144 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.435 ' N ' HG12 ' D' ' 54' ' ' VAL . 70.9 m -150.33 -69.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.803 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.97 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.859 0.362 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -88.86 124.55 34.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.804 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.67 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 42.4 m-85 -112.8 132.11 55.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.405 0.621 . . . . 0.0 112.355 -179.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -106.36 128.39 53.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.91 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.34 124.09 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.933 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' B' ' 1' ' ' MET . 34.5 mt -96.95 117.19 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.871 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.4 OUTLIER -114.02 123.02 48.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.0 178.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -155.33 107.96 2.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.814 0.34 . . . . 0.0 110.716 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.97 97.49 0.65 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt 59.71 175.36 0.08 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.8 m -150.71 97.78 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.2 mt -128.63 164.53 22.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.738 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -101.14 84.42 2.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.06 -87.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -84.59 124.43 31.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.343 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.0 t -83.13 66.04 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.117 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.8 p -75.29 175.98 7.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.689 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 t -154.93 160.98 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 40.9 mt-10 -147.43 76.27 1.4 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.487 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . 79.25 -56.29 0.42 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.086 -0.507 . . . . 0.0 112.033 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.417 HG13 ' HG ' ' A' ' 7' ' ' LEU . 6.2 t -73.28 62.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.123 0.487 . . . . 0.0 111.652 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.2 t70 -103.31 144.48 31.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.653 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.695 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -51.29 -43.66 61.68 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.374 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.11 -30.41 70.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.195 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 29' ' ' VAL . 27.2 m -62.09 -36.45 81.73 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.049 0.452 . . . . 0.0 110.224 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.684 ' O ' HG23 ' A' ' 30' ' ' VAL . 37.3 t80 -67.09 -47.66 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.692 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -56.98 -51.03 70.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.008 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -67.27 -48.89 66.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 25' ' ' THR . 59.3 t -62.13 -40.71 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 26' ' ' PHE . 60.6 t -71.87 -45.56 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.8 tttt -62.63 -46.11 89.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.014 0.435 . . . . 0.0 110.764 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -63.09 -45.84 90.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.355 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.507 ' CE2' ' CE1' ' A' ' 34' ' ' PHE . 4.5 t80 -68.03 -46.58 70.8 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.686 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 39.7 m-85 -75.02 -30.93 61.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -30.56 63.4 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 111.194 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.2 -17.88 59.47 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.274 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.7 p30 -106.27 -21.09 13.2 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.49 13.31 1.88 Allowed Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.26 -0.971 . . . . 0.0 114.084 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.655 HG23 ' OD1' ' A' ' 37' ' ' ASN . 24.3 t -88.73 143.39 11.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 117.611 0.706 . . . . 0.0 110.546 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -157.96 -178.98 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.084 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.24 -145.07 17.52 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.216 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -148.34 155.3 41.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 0.0 110.9 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -74.26 115.29 13.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.158 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.22 142.19 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.441 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.35 144.79 51.53 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.877 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.37 158.8 35.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.07 129.97 41.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.644 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.55 141.18 32.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.065 0.46 . . . . 0.0 112.128 -179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -138.6 156.66 47.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.577 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -126.03 123.32 38.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.994 0.426 . . . . 0.0 111.245 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.2 m -107.74 134.21 51.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.434 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.59 116.43 20.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.26 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.3 m -90.77 122.73 33.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.329 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 t -71.46 155.64 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.898 0.38 . . . . 0.0 111.229 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 m -149.88 -69.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.886 -179.811 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.402 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 6.6 tpt . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.757 0.313 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -88.7 124.53 34.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.819 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.695 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 41.9 m-85 -112.82 132.06 55.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.389 0.614 . . . . 0.0 112.461 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -106.42 128.4 54.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.96 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.19 124.1 13.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.932 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 35.7 mt -96.84 117.17 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.839 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.686 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -113.82 123.2 49.24 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.017 178.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -154.98 109.79 3.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.7 86.65 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.779 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.48 158.3 43.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.708 0.29 . . . . 0.0 110.742 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 53.9 p 52.09 92.67 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.359 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.551 HD23 ' N ' ' B' ' 13' ' ' LYS . 3.4 tt -162.96 148.82 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.551 ' N ' HD23 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -132.08 120.58 22.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.04 64.27 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.338 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -72.87 123.15 22.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.862 0.363 . . . . 0.0 111.126 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 8.4 m -88.62 -57.47 2.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.735 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -147.53 -50.05 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.2 t -141.35 168.98 18.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -76.65 147.7 37.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.86 -66.71 0.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.425 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.417 HG13 ' HG ' ' B' ' 7' ' ' LEU . 6.7 t -72.69 62.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.454 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.463 ' O ' ' HB ' ' B' ' 25' ' ' THR . 12.6 t70 -103.43 144.59 31.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.549 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.67 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.43 -43.28 61.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.291 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.49 70.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.176 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.653 ' O ' HG23 ' B' ' 29' ' ' VAL . 26.0 m -62.14 -36.26 81.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.206 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.69 ' O ' HG23 ' B' ' 30' ' ' VAL . 37.8 t80 -67.23 -47.68 70.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.719 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.96 -51.14 70.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.951 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -67.08 -48.79 67.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 25' ' ' THR . 60.4 t -62.24 -40.6 88.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 26' ' ' PHE . 61.3 t -71.92 -45.49 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -62.74 -45.93 90.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 110.734 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.38 -45.73 89.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.228 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.504 ' CE2' ' CE1' ' B' ' 34' ' ' PHE . 4.5 t80 -68.06 -46.54 70.79 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.511 0.559 . . . . 0.0 112.511 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.665 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 39.9 m-85 -75.08 -31.02 61.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.65 -30.53 63.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.836 0.35 . . . . 0.0 111.256 178.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -62.33 -17.66 59.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.261 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.661 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.6 p30 -106.32 -21.11 13.19 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.28 13.28 1.93 Allowed Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.32 -0.943 . . . . 0.0 114.252 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.661 HG23 ' OD1' ' B' ' 37' ' ' ASN . 24.5 t -88.74 143.29 11.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 117.535 0.668 . . . . 0.0 110.611 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -157.89 -179.16 7.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.997 0.427 . . . . 0.0 111.095 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.44 -144.8 17.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.148 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -148.59 155.29 40.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.939 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -74.31 115.43 13.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.165 0.507 . . . . 0.0 111.19 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 31.1 p -110.35 142.01 42.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.472 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.28 144.57 51.73 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.839 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.22 158.86 35.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.1 130.15 42.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.686 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.59 141.05 33.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.085 0.469 . . . . 0.0 112.093 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 3.2 m -138.41 156.55 47.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.425 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -126.09 123.44 38.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.954 0.407 . . . . 0.0 111.2 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 31.3 m -107.95 134.37 50.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.45 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.65 116.54 20.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.255 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 86.2 m -90.99 122.46 33.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.353 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.403 HG12 ' N ' ' B' ' 55' ' ' THR . 4.9 t -71.25 155.86 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.871 0.367 . . . . 0.0 111.24 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.403 ' N ' HG12 ' B' ' 54' ' ' VAL . 61.8 m -149.92 -69.67 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.923 -179.876 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.829 0.347 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -88.83 124.56 34.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.673 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 42.4 m-85 -112.83 132.26 55.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.411 0.625 . . . . 0.0 112.443 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -106.42 128.33 53.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.973 179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.24 124.36 13.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.006 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.5 mt -97.15 117.19 41.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.926 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.698 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.4 OUTLIER -113.89 123.16 49.1 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.97 178.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -155.04 109.62 2.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.756 0.313 . . . . 0.0 111.057 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.07 68.59 3.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.396 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 pttm -154.83 137.38 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.41 108.34 7.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tt -84.45 -36.07 22.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.633 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -136.87 118.29 14.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.655 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.21 -41.35 0.57 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 57.71 31.79 20.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.835 0.35 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -76.59 -41.14 47.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 9.9 p 56.57 -175.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.212 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 10.1 p 50.37 35.52 11.04 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.652 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -125.54 123.65 39.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.04 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.2 -86.39 0.27 Allowed 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.464 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.475 HG13 ' HG ' ' C' ' 7' ' ' LEU . 16.6 t 50.14 68.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-O 121.126 0.489 . . . . 0.0 111.251 -179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.467 ' O ' ' HB ' ' C' ' 25' ' ' THR . 12.0 t70 -102.86 144.15 31.55 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.528 0.68 . . . . 0.0 112.439 -179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.655 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -51.88 -43.65 63.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.423 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -30.48 70.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.112 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.659 ' O ' HG23 ' C' ' 29' ' ' VAL . 25.7 m -62.18 -36.17 81.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.212 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.673 ' O ' HG23 ' C' ' 30' ' ' VAL . 38.4 t80 -67.16 -47.84 69.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.669 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -56.92 -51.17 70.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.931 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -66.96 -48.9 67.14 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.659 HG23 ' O ' ' C' ' 25' ' ' THR . 60.3 t -62.22 -40.57 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.673 HG23 ' O ' ' C' ' 26' ' ' PHE . 60.5 t -72.08 -45.48 62.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -62.73 -46.04 89.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 0.0 110.661 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.27 -45.91 89.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.317 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.501 ' CE2' ' CE1' ' C' ' 34' ' ' PHE . 4.5 t80 -67.94 -46.54 71.18 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.706 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 39.9 m-85 -75.02 -31.06 61.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.57 -30.52 63.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.965 0.412 . . . . 0.0 111.2 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -62.22 -17.88 59.52 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.306 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.664 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.7 p30 -106.22 -20.93 13.25 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.15 13.42 1.94 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.293 -0.956 . . . . 0.0 114.216 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.664 HG23 ' OD1' ' C' ' 37' ' ' ASN . 23.7 t -88.84 143.29 11.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.551 0.676 . . . . 0.0 110.678 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -158.05 -179.34 8.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.946 0.403 . . . . 0.0 111.192 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.83 -144.89 17.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.144 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -148.24 155.23 41.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.374 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.32 115.27 13.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.231 0.538 . . . . 0.0 111.193 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.23 142.14 42.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.403 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.31 144.61 51.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.868 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.18 158.9 35.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.99 129.92 41.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.716 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.23 140.8 31.58 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.009 0.433 . . . . 0.0 111.947 -179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -138.5 156.57 47.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.57 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -126.32 123.19 37.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.013 0.435 . . . . 0.0 111.325 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -107.54 134.46 50.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.486 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.57 116.35 20.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -90.81 122.58 33.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.327 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.403 HG12 ' N ' ' C' ' 55' ' ' THR . 4.8 t -71.46 156.03 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.959 0.409 . . . . 0.0 111.193 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.403 ' N ' HG12 ' C' ' 54' ' ' VAL . 64.8 m -150.28 -69.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.002 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.932 -179.753 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.86 0.362 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -88.63 124.53 34.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.592 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.655 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 42.2 m-85 -112.82 132.27 55.34 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.46 0.648 . . . . 0.0 112.504 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -106.37 128.38 53.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.953 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.33 124.35 13.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 34.2 mt -97.02 117.18 41.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.856 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.706 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.4 OUTLIER -113.98 122.99 48.63 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.039 178.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -154.18 107.97 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.39 50.86 0.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.516 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -86.35 78.39 9.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 27.5 p -78.9 135.62 37.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.781 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 19.7 mt -136.26 138.57 41.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.953 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.19 87.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.44 174.92 1.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.338 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -154.47 -178.94 7.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.004 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 56.1 m -111.91 -68.24 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 3.2 p -113.29 -178.5 3.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.004 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 7.2 p -101.33 120.28 40.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.53 163.45 29.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.37 28.09 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.306 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.412 HG13 ' HG ' ' D' ' 7' ' ' LEU . 6.6 t -76.37 62.22 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 121.061 0.457 . . . . 0.0 111.513 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.468 ' O ' ' HB ' ' D' ' 25' ' ' THR . 12.8 t70 -103.27 144.58 31.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.328 0.585 . . . . 0.0 111.607 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.673 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -51.38 -43.52 61.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.317 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.26 -30.65 70.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.652 ' O ' HG23 ' D' ' 29' ' ' VAL . 26.6 m -62.04 -36.3 81.18 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.186 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.679 ' O ' HG23 ' D' ' 30' ' ' VAL . 36.8 t80 -67.12 -47.89 69.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.663 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.78 -51.24 69.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.924 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.5 tttm -67.13 -48.82 66.94 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.652 HG23 ' O ' ' D' ' 25' ' ' THR . 61.7 t -62.27 -40.67 88.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.679 HG23 ' O ' ' D' ' 26' ' ' PHE . 60.7 t -71.84 -45.75 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -62.47 -46.05 90.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.985 0.421 . . . . 0.0 110.764 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -63.32 -45.74 89.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.295 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.508 ' CE2' ' CE1' ' D' ' 34' ' ' PHE . 4.6 t80 -68.11 -46.57 70.55 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.698 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 40.4 m-85 -75.02 -30.97 61.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -30.49 63.38 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.267 178.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -62.28 -17.8 59.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.273 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.7 p30 -106.28 -21.06 13.21 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.36 13.37 1.9 Allowed Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.296 -0.954 . . . . 0.0 114.231 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.655 HG23 ' OD1' ' D' ' 37' ' ' ASN . 24.0 t -88.83 143.27 11.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 117.587 0.693 . . . . 0.0 110.601 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -158.0 -179.33 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.16 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 120.54 -144.98 17.34 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.18 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -148.27 155.27 41.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.962 0.41 . . . . 0.0 110.922 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -74.29 115.45 13.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 30.7 p -110.46 142.22 42.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.45 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -70.44 144.75 51.39 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.915 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.29 158.75 35.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.9 130.03 41.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.478 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.74 141.3 33.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.111 0.482 . . . . 0.0 112.07 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -138.52 156.67 47.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.528 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -126.2 123.48 38.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.954 0.407 . . . . 0.0 111.334 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 30.8 m -107.87 134.22 51.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.473 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -80.47 116.35 20.47 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -90.81 122.5 33.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.281 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.27 155.55 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.985 0.421 . . . . 0.0 111.111 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.1 m -149.71 -69.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.03 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.865 -179.838 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.812 0.339 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -88.06 123.41 32.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.551 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.554 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 39.1 m-85 -108.27 127.89 54.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.279 0.562 . . . . 0.0 111.823 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.65 125.44 51.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.688 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.19 127.27 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.575 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.2 mt -93.88 119.05 41.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.953 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.808 HD11 ' CE1' ' B' ' 34' ' ' PHE . 4.5 tp -134.29 115.67 14.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -150.94 -63.54 0.19 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 170.97 -74.6 0.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.696 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.4 tttm 61.64 84.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.832 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.8 p -80.71 145.38 31.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.012 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.5 mt -85.54 -32.28 22.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.795 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 tptt 59.76 42.42 16.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.951 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.02 -84.62 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.41 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.16 -177.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 m -115.96 97.03 5.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.971 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 m -155.4 -56.59 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.754 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.9 p 54.79 106.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.52 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -66.87 -177.74 0.65 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.778 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.81 43.69 1.83 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.582 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 21' ' ' VAL . 6.0 m -91.85 88.06 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.506 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' A' ' 25' ' ' THR . 28.3 t0 -102.5 142.33 33.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.319 0.58 . . . . 0.0 112.022 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.557 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -54.25 -41.2 68.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.133 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.13 -32.74 74.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.78 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.685 ' O ' HG23 ' A' ' 29' ' ' VAL . 22.3 m -62.9 -35.89 81.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.049 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.735 ' O ' HG23 ' A' ' 30' ' ' VAL . 27.6 t80 -65.14 -50.2 66.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.92 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.18 -50.53 70.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.176 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -67.27 -47.94 69.17 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.697 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 64.1 t -62.16 -40.46 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.0 t -69.73 -45.27 78.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 55.9 tttt -64.62 -45.59 86.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.641 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -64.07 -44.24 93.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.159 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.68 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.47 -47.25 70.63 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.786 ' CE1' HD11 ' B' ' 7' ' ' LEU . 36.8 m-85 -77.32 -32.03 54.97 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -53.76 -30.64 45.36 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.967 178.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.93 -18.47 60.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.639 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.578 ' HB3' ' HB1' ' B' ' 20' ' ' ALA . 7.0 m-80 -101.54 -20.4 15.09 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.798 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.7 16.73 2.98 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 120.319 -0.943 . . . . 0.0 113.272 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 34' ' ' PHE . 31.9 t -88.38 143.35 11.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.92 0.36 . . . . 0.0 110.45 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -155.88 -178.95 7.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.988 0.423 . . . . 0.0 111.237 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.23 -144.86 18.26 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.316 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -148.91 156.31 42.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -72.34 122.5 21.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.157 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.6 p -114.79 138.61 50.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.593 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -71.46 142.21 50.21 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.641 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.19 159.24 35.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.83 135.16 53.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.75 140.7 41.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.686 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.85 156.41 48.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.765 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -120.31 146.43 46.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.995 0.426 . . . . 0.0 110.977 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -138.59 129.42 26.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.26 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -81.36 121.2 25.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.411 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.1 m -94.78 124.34 38.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.226 179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 55' ' ' THR . 6.6 t -70.82 156.49 7.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.383 . . . . 0.0 111.09 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.413 ' N ' HG12 ' A' ' 54' ' ' VAL . 61.9 m -149.3 -69.34 0.21 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.317 -0.849 . . . . 0.0 111.011 179.882 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.83 0.347 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -87.97 123.39 32.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.561 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.557 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 39.1 m-85 -108.26 127.87 54.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.132 0.491 . . . . 0.0 111.917 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.61 125.43 50.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.71 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.18 127.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.479 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 35.2 mt -93.96 118.9 40.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.901 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.786 HD11 ' CE1' ' A' ' 34' ' ' PHE . 4.5 tp -134.27 115.26 13.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.979 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -151.6 -63.07 0.18 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.55 57.64 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.703 -0.68 . . . . 0.0 112.264 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -97.85 107.0 19.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.6 m -136.33 135.96 39.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.783 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.3 mt -87.38 -39.27 15.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.076 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 ptmt -175.18 123.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.19 -58.46 0.2 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.474 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 60.41 50.53 5.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.906 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 6.3 t -91.18 118.55 30.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 14.0 p 55.31 -170.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.197 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 2.1 p -91.5 101.38 14.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 60.32 107.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.996 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.578 ' HB1' ' HB3' ' A' ' 37' ' ' ASN . . . -75.59 -60.98 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.907 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.446 ' O ' HG23 ' B' ' 21' ' ' VAL . 6.6 m -95.63 88.28 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.849 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.447 ' O ' ' HB ' ' B' ' 25' ' ' THR . 28.1 t0 -102.48 142.26 33.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.345 0.593 . . . . 0.0 111.996 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.554 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -54.19 -41.18 68.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.191 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.15 -32.64 74.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.69 ' O ' HG23 ' B' ' 29' ' ' VAL . 22.7 m -62.94 -35.85 81.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.034 179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.732 ' O ' HG23 ' B' ' 30' ' ' VAL . 27.4 t80 -65.14 -50.25 66.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.96 178.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.29 -50.45 71.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.075 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -67.38 -47.91 68.97 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 25' ' ' THR . 63.9 t -62.08 -40.51 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.732 HG23 ' O ' ' B' ' 26' ' ' PHE . 62.1 t -69.69 -45.51 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.41 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 56.2 tttt -64.54 -45.48 86.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.923 0.392 . . . . 0.0 110.684 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -64.02 -44.28 93.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.697 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.8 t80 -67.42 -47.34 70.54 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.808 ' CE1' HD11 ' A' ' 7' ' ' LEU . 36.7 m-85 -77.3 -31.97 55.09 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -53.8 -30.61 45.66 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.985 178.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -62.02 -18.4 60.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.571 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' B' ' 34' ' ' PHE . 6.9 m-80 -101.52 -20.56 15.04 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.74 16.78 2.96 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.344 -0.931 . . . . 0.0 113.28 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.428 HG21 ' HB3' ' B' ' 34' ' ' PHE . 30.5 t -88.35 143.25 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.934 0.367 . . . . 0.0 110.567 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -155.82 -178.77 7.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.103 0.478 . . . . 0.0 111.224 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.03 -145.0 18.37 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.41 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -148.75 156.17 41.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.9 0.381 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.25 122.47 21.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -114.73 138.61 50.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.585 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -71.42 142.3 50.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.645 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.26 159.07 35.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.771 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.8 135.2 53.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.727 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.83 140.59 41.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.695 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.71 156.39 48.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.82 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -120.19 146.42 46.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.41 . . . . 0.0 111.061 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 16.6 m -138.56 129.36 26.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.265 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -81.35 121.19 25.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.412 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -94.62 124.33 38.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.234 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.421 HG12 ' N ' ' B' ' 55' ' ' THR . 6.7 t -70.87 156.53 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 111.093 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.421 ' N ' HG12 ' B' ' 54' ' ' VAL . 63.1 m -149.32 -69.53 0.21 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.823 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.009 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -88.01 123.42 32.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.561 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.566 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 39.2 m-85 -108.2 127.78 54.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.162 0.506 . . . . 0.0 111.902 -179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.62 125.35 50.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.679 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.6 t -142.16 127.38 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.479 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 35.1 mt -93.85 118.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.805 HD11 ' CE1' ' D' ' 34' ' ' PHE . 4.5 tp -134.24 115.3 13.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.849 0.357 . . . . 0.0 111.012 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -151.68 -61.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.623 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.26 108.04 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.676 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -128.86 148.63 50.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 110.834 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 70.8 p -62.19 177.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 32.6 mt -111.54 35.39 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 20.1 pttt 45.23 39.89 4.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.608 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 176.3 -48.78 0.11 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.236 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -94.83 79.09 3.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . 0.485 HG23 ' O ' ' C' ' 16' ' ' THR . 9.7 t -60.74 112.87 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.268 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -116.43 153.44 32.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.667 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 18.5 p -60.68 169.17 1.92 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -80.66 127.49 32.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' D' ' 37' ' ' ASN . . . -119.72 -73.7 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.264 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.453 HG23 ' O ' ' C' ' 21' ' ' VAL . 8.9 m -94.32 87.51 2.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.334 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.0 t0 -102.53 142.38 33.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.338 0.589 . . . . 0.0 111.81 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.562 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -54.33 -41.13 68.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.119 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -32.65 74.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.673 ' O ' HG23 ' C' ' 29' ' ' VAL . 22.6 m -62.86 -35.9 81.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.064 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.737 ' O ' HG23 ' C' ' 30' ' ' VAL . 27.5 t80 -65.12 -50.36 66.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.844 179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -56.18 -50.51 71.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.131 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -67.32 -47.95 69.01 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.686 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 64.4 t -62.09 -40.48 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.737 HG23 ' O ' ' C' ' 26' ' ' PHE . 61.5 t -69.67 -45.46 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . 0.401 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 56.0 tttt -64.55 -45.62 86.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.924 0.392 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.97 -44.27 93.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.183 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.682 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.8 t80 -67.4 -47.3 70.7 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.554 0.576 . . . . 0.0 112.554 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.807 ' CE1' HD11 ' D' ' 7' ' ' LEU . 37.0 m-85 -77.39 -31.9 54.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . 0.401 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -53.76 -30.74 45.76 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.994 178.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.94 -18.45 60.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.605 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' C' ' 34' ' ' PHE . 6.9 m-80 -101.47 -20.54 15.07 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.73 16.73 2.97 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.279 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' C' ' 34' ' ' PHE . 30.6 t -88.26 143.3 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.902 0.351 . . . . 0.0 110.507 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -155.86 -178.8 7.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.065 0.459 . . . . 0.0 111.288 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.09 -145.01 18.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.348 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -148.74 156.19 42.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.891 0.377 . . . . 0.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -72.26 122.51 21.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.189 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.6 p -114.77 138.57 50.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.529 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.38 142.24 50.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.611 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.25 159.26 34.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.846 0.355 . . . . 0.0 110.828 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.05 135.29 53.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.674 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.88 140.71 41.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.796 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 9.0 m -133.83 156.37 48.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.752 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -120.1 146.5 45.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.927 0.394 . . . . 0.0 111.089 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -138.63 129.37 26.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.208 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -81.35 121.26 25.99 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.454 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 92.4 m -94.84 124.3 38.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.31 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.417 HG12 ' N ' ' C' ' 55' ' ' THR . 6.6 t -70.72 156.46 7.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.92 0.391 . . . . 0.0 111.061 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.417 ' N ' HG12 ' C' ' 54' ' ' VAL . 62.5 m -149.27 -69.45 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.825 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.957 179.808 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -87.97 123.42 32.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.522 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.562 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 39.3 m-85 -108.34 127.78 54.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.296 0.57 . . . . 0.0 111.871 -179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -106.59 125.44 51.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.671 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.15 127.21 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.56 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 35.3 mt -93.85 119.03 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.807 HD11 ' CE1' ' C' ' 34' ' ' PHE . 4.5 tp -134.32 115.45 14.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.974 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -151.61 -64.76 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.725 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.27 -74.82 0.83 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.677 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -97.8 158.96 15.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 111.167 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 2.9 t -165.28 134.84 3.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.835 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt 63.48 -79.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -74.52 -173.4 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.9 -143.26 3.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.601 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.88 32.92 20.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 2.0 m -97.97 124.37 42.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 6.3 m -87.44 -43.26 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 2.7 t -82.5 172.86 12.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.112 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 60.75 110.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.957 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.47 29.53 7.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.299 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.451 ' O ' HG23 ' D' ' 21' ' ' VAL . 8.1 m -93.08 86.95 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.81 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.449 ' O ' ' HB ' ' D' ' 25' ' ' THR . 27.8 t0 -102.59 142.37 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.291 0.567 . . . . 0.0 111.787 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.566 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -54.26 -41.1 68.41 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.125 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.14 -32.77 74.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.048 0.452 . . . . 0.0 110.91 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.673 ' O ' HG23 ' D' ' 29' ' ' VAL . 22.6 m -62.82 -35.87 81.32 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.03 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.753 ' O ' HG23 ' D' ' 30' ' ' VAL . 27.7 t80 -65.18 -50.27 66.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.864 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -56.31 -50.4 71.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.844 -0.617 . . . . 0.0 112.118 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -67.28 -48.1 68.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.682 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 64.5 t -62.11 -40.34 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.753 HG23 ' O ' ' D' ' 26' ' ' PHE . 62.1 t -69.84 -45.37 77.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 56.5 tttt -64.52 -45.66 86.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.972 0.415 . . . . 0.0 110.569 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -63.98 -44.28 93.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.162 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.686 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.8 t80 -67.39 -47.29 70.77 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.805 ' CE1' HD11 ' C' ' 7' ' ' LEU . 36.9 m-85 -77.35 -31.94 54.77 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 0.9 OUTLIER -53.85 -30.7 46.69 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.941 178.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.96 -18.34 60.06 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.656 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.44 ' HB3' ' HB1' ' C' ' 20' ' ' ALA . 6.9 m-80 -101.62 -20.4 15.05 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.784 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.63 16.8 2.99 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.299 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.422 HG21 ' HB3' ' D' ' 34' ' ' PHE . 32.4 t -88.43 143.32 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.933 0.367 . . . . 0.0 110.527 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -155.85 -178.85 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.015 0.436 . . . . 0.0 111.334 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.09 -144.91 18.32 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.401 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -148.85 156.22 42.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -72.29 122.53 21.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.6 p -114.78 138.61 50.54 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.541 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -71.42 142.2 50.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.639 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.25 159.23 34.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.9 135.31 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.736 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.96 140.74 42.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.765 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 8.9 m -133.86 156.32 48.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.756 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -120.1 146.4 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.891 0.377 . . . . 0.0 111.132 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -138.54 129.39 26.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.28 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -81.3 121.23 25.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.507 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.0 m -94.68 124.39 38.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.331 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.417 HG12 ' N ' ' D' ' 55' ' ' THR . 6.7 t -70.88 156.51 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.914 0.387 . . . . 0.0 111.003 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.417 ' N ' HG12 ' D' ' 54' ' ' VAL . 62.2 m -149.33 -69.38 0.21 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.825 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.974 179.824 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.868 0.366 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -88.07 123.09 32.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.212 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.425 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.2 m-85 -108.87 130.16 55.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.325 0.583 . . . . 0.0 112.143 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -106.57 129.12 54.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.532 HG12 HD12 ' A' ' 7' ' ' LEU . 14.1 t -142.38 127.4 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -95.16 123.57 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.234 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.762 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp -134.65 112.44 10.81 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -157.51 115.45 3.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.689 0.281 . . . . 0.0 111.114 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.86 94.59 1.45 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.615 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -96.62 95.14 7.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 110.804 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 t -158.8 147.3 18.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.95 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 12' ' ' LEU . 3.0 pp -155.52 39.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -147.06 137.51 23.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.78 178.86 33.53 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.635 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.41 ' O ' HG22 ' A' ' 16' ' ' THR . 3.6 mt-10 -118.37 141.23 48.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.904 0.383 . . . . 0.0 111.346 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 15' ' ' GLU . 14.9 t 43.41 36.24 1.08 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.333 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 18' ' ' THR . 12.0 m -63.57 -67.12 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.839 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 17' ' ' THR . 14.6 t 46.06 -173.06 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.071 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 60.6 89.4 0.07 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.93 63.4 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.035 0.445 . . . . 0.0 111.359 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.564 HG12 ' HE2' ' B' ' 34' ' ' PHE . 4.4 m 42.92 84.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.473 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 25' ' ' THR . 36.1 t70 -101.41 144.59 30.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.978 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.74 -43.06 57.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.176 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.68 -28.79 67.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.293 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.8 m -62.56 -38.5 90.3 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.764 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.608 ' O ' HG23 ' A' ' 30' ' ' VAL . 16.5 t80 -68.85 -45.27 71.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.673 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 1.5 tt0 -56.21 -55.53 32.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.202 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -67.14 -48.53 67.77 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.641 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 58.4 t -63.29 -42.5 96.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 26' ' ' PHE . 59.5 t -70.74 -45.73 72.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 tttt -63.55 -45.73 89.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.959 0.409 . . . . 0.0 110.619 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -63.13 -45.53 91.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.633 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.9 t80 -67.65 -46.41 72.52 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.742 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 36.6 m-85 -75.85 -34.79 60.07 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.17 -32.07 54.46 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.98 0.419 . . . . 0.0 111.119 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -61.62 -17.72 56.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.036 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.63 ' OD1' HG23 ' A' ' 39' ' ' VAL . 16.5 p30 -105.76 -21.41 13.18 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.47 13.34 1.89 Allowed Glycine 0 CA--C 1.522 0.48 0 C-N-CA 120.116 -1.04 . . . . 0.0 114.232 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.63 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.0 t -89.69 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 117.46 0.63 . . . . 0.0 110.907 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -158.46 -177.37 6.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.389 . . . . 0.0 111.271 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.03 -145.15 18.4 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.303 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -147.46 154.69 41.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.951 0.405 . . . . 0.0 111.094 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 95.2 m95 -73.17 117.94 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.31 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.1 p -110.64 141.66 43.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.348 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.09 143.22 52.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.48 160.26 33.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -66.38 126.06 27.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.72 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 144.84 28.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.867 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.9 m -140.01 156.36 46.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.45 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -124.58 119.01 27.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.03 0.443 . . . . 0.0 111.307 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.5 m -104.06 132.56 50.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.18 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.35 114.73 20.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.231 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.4 m -86.88 123.16 31.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.466 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.0 t -71.2 155.87 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.369 . . . . 0.0 111.073 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.7 m -149.49 -69.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.888 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.854 0.359 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.24 123.17 32.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.094 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -109.15 130.22 55.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.29 0.567 . . . . 0.0 112.049 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -106.61 129.38 54.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.546 HG12 HD12 ' B' ' 7' ' ' LEU . 14.3 t -142.3 127.26 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 28.8 mt -95.12 123.15 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.314 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.742 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.2 mp -134.58 112.41 10.84 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -155.32 111.05 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.834 0.349 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.13 98.33 0.37 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.423 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -162.18 106.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 110.822 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t -164.43 158.52 18.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.032 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mt -122.41 117.8 26.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.645 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 tttt -151.42 175.19 12.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.91 -33.69 75.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.154 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -88.15 132.23 34.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.633 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 14.8 m -142.03 95.0 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 26.8 m -126.17 -66.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.6 t -140.21 170.48 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -87.23 160.82 18.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 37' ' ' ASN . . . -107.37 -73.69 0.68 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.001 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.612 HG12 ' HE2' ' A' ' 34' ' ' PHE . 6.3 m -89.35 81.09 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.099 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' B' ' 25' ' ' THR . 36.2 t70 -102.14 144.9 30.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.218 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.31 -43.01 53.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.233 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.77 -28.87 67.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.352 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.58 ' O ' HG23 ' B' ' 29' ' ' VAL . 91.2 m -62.37 -38.78 90.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.796 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.608 ' O ' HG23 ' B' ' 30' ' ' VAL . 16.8 t80 -68.62 -45.23 72.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.7 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 1.5 tt0 -56.31 -55.28 35.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.667 -0.697 . . . . 0.0 112.217 -179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.3 -48.5 67.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.633 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 58.5 t -63.32 -42.67 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 26' ' ' PHE . 59.1 t -70.59 -45.95 72.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -63.37 -45.63 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 110.684 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.21 -45.54 91.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.224 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.641 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.0 t80 -67.63 -46.38 72.65 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.762 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 36.7 m-85 -75.83 -34.84 60.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -31.96 53.99 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.96 0.409 . . . . 0.0 111.185 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -61.79 -17.62 56.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.053 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.634 ' OD1' HG23 ' B' ' 39' ' ' VAL . 16.4 p30 -105.72 -21.35 13.2 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.4 13.38 1.89 Allowed Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.063 -1.065 . . . . 0.0 114.246 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.634 HG23 ' OD1' ' B' ' 37' ' ' ASN . 22.3 t -89.82 143.37 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 117.437 0.619 . . . . 0.0 110.886 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -158.47 -177.04 6.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.966 0.412 . . . . 0.0 111.25 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.75 -145.17 18.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.44 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -147.33 154.77 41.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.928 0.394 . . . . 0.0 111.028 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.432 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 95.0 m95 -73.45 118.04 15.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.351 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 64.6 p -110.74 141.74 43.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.264 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -70.16 143.4 52.31 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.72 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.69 160.09 33.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.012 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -66.35 126.08 27.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.3 145.22 27.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.918 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 22.3 m -140.18 156.46 46.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.523 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -124.61 119.07 27.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.033 0.444 . . . . 0.0 111.339 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 31.7 m -104.01 132.46 50.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.169 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -81.25 114.76 20.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.224 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.0 m -86.83 123.01 31.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.43 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.2 155.63 7.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.882 0.373 . . . . 0.0 111.106 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 m -149.34 -69.59 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.004 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.23 123.19 32.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.183 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.436 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.1 m-85 -108.99 130.23 55.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.366 0.603 . . . . 0.0 112.029 -179.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -106.57 129.02 54.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.541 HG12 HD12 ' C' ' 7' ' ' LEU . 14.3 t -142.25 127.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 mt -95.06 123.4 47.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.303 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.76 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.2 mp -134.54 112.54 10.96 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -156.29 113.01 3.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.821 0.344 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.97 -40.1 92.82 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.904 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 83.5 tttt 57.75 60.26 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.937 0.399 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 77.1 p -120.13 124.88 46.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tp -164.96 49.13 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 11.6 ttpt -159.53 112.09 2.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 -136.01 15.86 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.555 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -90.27 179.0 6.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . 0.567 HG23 ' O ' ' C' ' 16' ' ' THR . 8.0 t -81.81 88.38 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.206 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 47.5 p -137.8 166.42 24.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 27.6 p 53.73 91.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.327 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.12 137.58 0.93 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.731 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.69 -50.87 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 111.395 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.599 HG12 ' HE2' ' D' ' 34' ' ' PHE . 5.9 m -85.64 80.99 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.295 0.569 . . . . 0.0 110.887 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.432 ' O ' ' HB ' ' C' ' 25' ' ' THR . 35.9 t70 -102.13 144.88 30.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.165 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.21 -42.97 52.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.249 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.85 67.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.345 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.601 ' O ' HG23 ' C' ' 29' ' ' VAL . 86.5 m -62.49 -38.72 90.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.6 ' O ' HG23 ' C' ' 30' ' ' VAL . 16.5 t80 -68.66 -45.35 71.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.637 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.432 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 1.5 tt0 -56.11 -55.47 32.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.233 -179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.37 -48.38 67.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 56.9 t -63.22 -42.7 97.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.6 HG23 ' O ' ' C' ' 26' ' ' PHE . 60.4 t -70.7 -45.73 72.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -63.47 -45.66 89.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.918 0.389 . . . . 0.0 110.682 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -63.16 -45.66 90.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.636 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.9 t80 -67.59 -46.31 72.99 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.741 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 36.5 m-85 -75.84 -34.77 60.1 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.21 -32.05 54.74 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.944 0.402 . . . . 0.0 111.162 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -61.76 -17.64 56.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.059 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.642 ' OD1' HG23 ' C' ' 39' ' ' VAL . 16.4 p30 -105.7 -21.69 13.13 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.72 13.25 1.85 Allowed Glycine 0 CA--C 1.522 0.478 0 C-N-CA 120.113 -1.041 . . . . 0.0 114.215 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.0 t -89.55 143.28 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 117.496 0.648 . . . . 0.0 110.95 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -158.43 -177.42 6.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.11 -145.14 18.37 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.303 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -147.28 154.86 41.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.941 0.4 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . 0.432 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 95.0 m95 -73.37 117.96 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.348 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 63.3 p -110.66 141.58 43.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.333 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.11 143.41 52.39 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.826 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.82 160.07 33.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.014 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.32 126.02 27.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.16 145.05 27.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.96 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 19.8 m -140.15 156.47 46.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.392 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -124.61 119.06 27.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.079 0.466 . . . . 0.0 111.376 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 31.5 m -104.12 132.55 50.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.169 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -81.26 114.76 20.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.194 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 88.8 m -86.87 123.08 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.483 179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.08 155.69 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.1 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 68.1 m -149.46 -69.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.929 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.896 0.379 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -88.37 123.17 32.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.299 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.432 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.3 m-85 -109.06 130.08 55.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.349 0.595 . . . . 0.0 112.034 -179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -106.53 129.2 54.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.817 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.542 HG12 HD12 ' D' ' 7' ' ' LEU . 13.8 t -142.31 127.23 16.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 28.8 mt -95.14 123.51 47.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.349 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.741 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.2 mp -134.63 112.63 10.98 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -157.74 121.54 4.12 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.784 0.326 . . . . 0.0 111.596 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.58 123.36 28.88 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.318 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -83.73 157.66 22.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 10.4 m -82.12 114.07 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 7.0 mt -103.77 -66.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 pttp -165.08 122.18 1.53 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.678 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.36 40.27 11.44 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.339 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 60.95 155.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 111.177 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -103.59 166.86 10.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.536 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -160.38 -52.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.05 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 73.1 p -135.73 -177.02 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 60.01 171.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.19 68.44 0.83 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.08 0.467 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.559 HG12 ' HE2' ' C' ' 34' ' ' PHE . 4.4 m 43.28 84.23 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.36 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' D' ' 25' ' ' THR . 35.7 t70 -101.43 144.41 30.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.872 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.66 -43.1 57.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.22 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.66 -28.82 68.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.344 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' D' ' 29' ' ' VAL . 87.2 m -62.52 -38.48 90.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.787 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.616 ' O ' HG23 ' D' ' 30' ' ' VAL . 16.8 t80 -68.81 -45.21 71.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.705 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 1.5 tt0 -56.38 -55.39 34.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.738 -0.664 . . . . 0.0 112.234 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -67.11 -48.58 67.71 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.636 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 57.8 t -63.3 -42.45 96.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.616 HG23 ' O ' ' D' ' 26' ' ' PHE . 60.3 t -70.75 -45.84 71.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 32.6 tttt -63.33 -45.75 89.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.961 0.41 . . . . 0.0 110.642 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 43.3 tp60 -63.12 -45.78 90.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.114 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.0 t80 -67.52 -46.31 73.2 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.76 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 36.6 m-85 -75.86 -34.91 60.05 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.15 -31.94 53.93 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.042 0.449 . . . . 0.0 111.193 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -61.74 -17.64 56.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.051 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.642 ' OD1' HG23 ' D' ' 39' ' ' VAL . 16.3 p30 -105.79 -21.43 13.17 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.43 13.37 1.89 Allowed Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.042 -1.075 . . . . 0.0 114.187 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' D' ' 37' ' ' ASN . 23.5 t -89.88 143.35 11.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 117.52 0.66 . . . . 0.0 110.824 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -158.33 -177.37 6.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.895 0.378 . . . . 0.0 111.246 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.07 -145.2 18.39 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.374 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -147.39 154.62 41.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.905 0.384 . . . . 0.0 111.031 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 95.2 m95 -73.18 118.11 15.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.353 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -110.79 141.64 43.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.317 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.13 143.21 52.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.755 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.51 160.39 32.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.066 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -66.56 125.98 27.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.752 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.05 144.72 27.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.061 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 19.4 m -139.89 156.32 46.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.368 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -124.62 118.88 27.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.047 0.451 . . . . 0.0 111.363 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 31.8 m -103.96 132.68 49.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.12 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -81.34 114.76 20.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.185 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 90.5 m -86.83 123.07 31.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.44 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.28 155.75 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.865 0.364 . . . . 0.0 111.113 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 63.6 m -149.51 -69.38 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.931 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.799 0.333 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.87 122.59 33.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 38.3 m-85 -108.24 133.45 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.303 0.573 . . . . 0.0 112.18 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -106.56 131.47 53.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.805 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 7' ' ' LEU . 21.0 t -142.54 127.4 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.013 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -99.93 118.1 46.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.512 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp -120.36 120.49 36.14 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -156.06 118.42 4.09 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.795 0.331 . . . . 0.0 111.807 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.02 -52.07 50.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.821 -0.705 . . . . 0.0 112.353 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttp 60.08 175.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.795 0.331 . . . . 0.0 110.992 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.9 p -60.79 127.85 33.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.045 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 tp -142.11 111.15 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.47 144.12 37.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 142.77 -175.53 22.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.432 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -148.74 40.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.786 HG22 HG23 ' A' ' 17' ' ' THR . 25.1 m -143.17 128.88 19.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.786 HG23 HG22 ' A' ' 16' ' ' THR . 17.0 p 55.55 170.15 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.308 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.0 p -142.8 32.55 1.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -102.21 121.91 43.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.742 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -167.05 70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.314 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 m 44.29 77.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.275 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 25' ' ' THR . 24.7 t70 -101.36 147.56 26.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.801 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.8 -43.38 65.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.236 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.6 -30.94 70.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.08 179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 29' ' ' VAL . 75.9 m -63.03 -39.18 93.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.69 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.57 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.0 t80 -66.17 -46.1 78.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.849 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.05 -53.92 51.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.123 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -67.82 -49.06 64.33 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 61.5 t -64.08 -44.84 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 26' ' ' PHE . 56.8 t -69.34 -46.78 76.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 -178.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -63.43 -45.28 91.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.911 0.386 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -64.73 -42.66 95.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.739 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.572 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.1 t80 -67.89 -47.6 68.37 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.545 ' HB3' HG21 ' A' ' 39' ' ' VAL . 30.3 m-85 -77.32 -32.83 55.55 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.76 -29.08 38.31 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.928 0.394 . . . . 0.0 111.189 178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.21 -17.09 51.45 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.875 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.519 ' OD1' HG23 ' A' ' 39' ' ' VAL . 12.0 p30 -104.16 -14.93 15.68 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.26 17.25 3.02 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 120.528 -0.844 . . . . 0.0 113.557 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.545 HG21 ' HB3' ' A' ' 34' ' ' PHE . 21.9 t -88.9 143.66 10.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 117.129 0.464 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -155.66 -178.98 7.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.016 0.436 . . . . 0.0 111.077 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.52 -143.42 18.03 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -150.78 157.93 43.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.022 0.439 . . . . 0.0 111.237 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -73.03 121.87 20.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.393 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.8 p -113.23 140.1 48.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.726 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.79 146.14 49.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.611 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.22 157.44 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 0.0 110.813 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.62 132.36 48.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.27 141.7 40.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.464 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.0 m -138.71 156.7 47.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.552 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.0 mttt -115.14 148.01 39.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.001 0.429 . . . . 0.0 111.18 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.5 m -141.49 128.69 20.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.939 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -81.42 117.97 22.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.489 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 88.9 m -95.5 126.15 40.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.255 179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.37 155.34 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.915 0.388 . . . . 0.0 111.224 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.868 HG22 ' HG2' ' A' ' 56' ' ' GLU . 55.9 m -143.08 -75.79 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.357 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.868 ' HG2' HG22 ' A' ' 55' ' ' THR . 7.3 pt-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.955 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.904 0.383 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -89.72 122.41 32.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.741 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.468 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 38.1 m-85 -108.17 133.39 52.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.327 0.584 . . . . 0.0 112.267 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -106.41 131.49 53.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.827 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.496 HG12 HD12 ' B' ' 7' ' ' LEU . 21.3 t -142.58 127.2 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 29.1 mt -99.51 117.87 45.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 111.515 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.497 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp -120.09 120.41 36.16 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -155.27 110.91 3.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 111.088 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.31 91.06 0.96 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -173.96 102.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.363 . . . . 0.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.7 t -158.02 133.7 9.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mt 62.85 -79.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.053 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -164.24 81.47 0.41 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.97 67.53 0.22 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.365 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.443 ' O ' HG22 ' B' ' 16' ' ' THR . 42.3 mt-10 -87.43 91.9 8.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.721 0.296 . . . . 0.0 111.166 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.443 HG22 ' O ' ' B' ' 15' ' ' GLU . 15.0 t 44.19 39.54 2.99 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.011 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.8 m -92.89 -51.81 4.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 46.1 p -143.7 -65.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.099 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 59.84 174.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 37' ' ' ASN . . . -173.63 -66.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.224 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 m -80.31 70.77 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.432 0.634 . . . . 0.0 110.859 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' B' ' 25' ' ' THR . 27.0 t70 -102.04 148.07 25.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.874 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.66 -42.94 65.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.197 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.99 -30.94 70.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.162 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.515 ' O ' HG23 ' B' ' 29' ' ' VAL . 74.9 m -63.12 -38.91 93.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.704 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.565 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.1 t80 -66.22 -46.11 78.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.824 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.11 -54.0 50.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.113 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -67.76 -49.11 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.572 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 61.8 t -64.1 -44.65 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.565 HG23 ' O ' ' B' ' 26' ' ' PHE . 56.1 t -69.5 -46.59 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -178.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -63.48 -45.43 90.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 110.798 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.66 -42.6 95.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.736 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.577 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.1 t80 -68.03 -47.41 68.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.565 ' HB3' HG21 ' B' ' 39' ' ' VAL . 30.5 m-85 -77.48 -32.49 54.32 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.97 -29.1 41.55 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.957 0.408 . . . . 0.0 111.191 178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -61.37 -17.05 52.15 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.829 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.503 ' OD1' HG23 ' B' ' 39' ' ' VAL . 11.2 p30 -104.28 -14.7 15.7 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.94 17.47 3.07 Favored Glycine 0 C--N 1.335 0.473 0 C-N-CA 120.487 -0.863 . . . . 0.0 113.597 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' B' ' 34' ' ' PHE . 21.8 t -89.12 143.68 10.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 117.153 0.476 . . . . 0.0 110.96 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.72 -178.78 7.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.921 0.391 . . . . 0.0 111.12 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.28 -143.68 18.06 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.505 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -150.58 157.88 43.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.945 0.402 . . . . 0.0 111.211 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -72.9 121.94 20.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.351 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 45.8 p -113.23 140.05 48.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.739 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.84 146.32 49.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.585 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.3 157.4 37.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.68 132.44 48.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.51 141.71 41.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.66 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 28.0 m -138.66 156.64 47.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.568 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -114.97 148.01 39.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.075 0.464 . . . . 0.0 111.169 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.59 128.73 20.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -81.47 118.44 22.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.48 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 89.3 m -96.04 126.01 40.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.155 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.11 155.31 7.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.844 0.355 . . . . 0.0 111.269 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.868 HG22 ' HG2' ' B' ' 56' ' ' GLU . 56.4 m -143.0 -76.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.393 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.868 ' HG2' HG22 ' B' ' 55' ' ' THR . 7.2 pt-20 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.739 0.304 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -89.74 122.53 32.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.745 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.471 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 37.9 m-85 -108.26 133.32 52.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.289 0.566 . . . . 0.0 112.206 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -106.45 131.6 53.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.82 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.505 HG12 HD12 ' C' ' 7' ' ' LEU . 20.8 t -142.58 127.33 16.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.007 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.68 118.34 46.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.471 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp -120.56 120.53 36.08 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -156.91 113.32 3.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.989 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.73 109.85 2.9 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.642 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -134.82 150.31 50.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 110.832 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -129.53 154.33 47.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.19 41.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.186 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.32 175.74 11.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.965 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.31 98.16 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -71.21 145.19 49.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.726 0.298 . . . . 0.0 110.715 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 2.3 m -115.65 -40.55 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 20.7 p 54.03 -171.92 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.494 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 1.5 t -131.92 144.9 51.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.061 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 60.87 113.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.2 79.62 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.27 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 6.2 m 44.65 76.45 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.261 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.412 ' O ' ' HB ' ' C' ' 25' ' ' THR . 25.6 t70 -101.53 147.68 26.1 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.673 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.83 -43.33 65.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.263 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.61 -30.95 70.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.509 ' O ' HG23 ' C' ' 29' ' ' VAL . 73.7 m -63.04 -39.07 93.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.742 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.569 ' O ' HG23 ' C' ' 30' ' ' VAL . 18.8 t80 -66.2 -45.99 78.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.859 179.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.2 -53.85 52.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.154 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -67.85 -48.88 64.92 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.573 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 61.5 t -64.29 -44.69 97.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.569 HG23 ' O ' ' C' ' 26' ' ' PHE . 53.1 t -69.48 -46.48 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -63.76 -45.21 90.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.903 0.382 . . . . 0.0 110.683 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.781 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.1 t80 -67.82 -47.53 68.81 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.546 ' HB3' HG21 ' C' ' 39' ' ' VAL . 30.3 m-85 -77.4 -32.59 54.91 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.94 -29.15 41.16 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.872 0.368 . . . . 0.0 111.119 178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -61.34 -17.08 52.15 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.932 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.496 ' OD1' HG23 ' C' ' 39' ' ' VAL . 11.2 p30 -104.2 -14.77 15.72 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.06 17.41 3.05 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 120.459 -0.877 . . . . 0.0 113.585 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.546 HG21 ' HB3' ' C' ' 34' ' ' PHE . 21.8 t -89.01 143.55 10.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 117.121 0.461 . . . . 0.0 111.015 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.46 -179.02 7.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.916 0.389 . . . . 0.0 111.201 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.53 -143.55 18.07 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -150.5 158.11 43.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 111.361 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -73.23 122.04 21.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.353 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 47.4 p -113.59 140.17 48.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.76 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.75 146.25 49.95 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.693 179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.27 157.48 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.796 0.331 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.68 132.21 47.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.05 141.7 39.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.497 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 27.6 m -138.66 156.59 47.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.703 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -115.13 147.63 40.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.016 0.436 . . . . 0.0 111.189 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.47 128.71 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.985 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -81.34 118.19 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.512 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 89.5 m -95.69 126.08 40.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.313 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.32 155.35 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.832 0.349 . . . . 0.0 111.225 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.856 HG22 ' HG2' ' C' ' 56' ' ' GLU . 56.4 m -142.96 -75.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.358 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . 0.856 ' HG2' HG22 ' C' ' 55' ' ' THR . 7.3 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.856 0.36 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -89.82 122.61 33.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.674 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.469 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 38.3 m-85 -108.24 133.41 52.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.242 0.544 . . . . 0.0 112.232 -179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 mmmt -106.55 131.38 53.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.865 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.508 HG12 HD12 ' D' ' 7' ' ' LEU . 21.2 t -142.53 127.16 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mt -99.52 118.19 45.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.518 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.508 HD12 HG12 ' D' ' 5' ' ' VAL . 1.1 mp -120.27 120.43 36.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.048 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -155.0 109.27 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.823 0.344 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.15 111.96 4.37 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.737 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -102.24 119.25 38.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.765 0.317 . . . . 0.0 110.71 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 16.0 m -111.68 81.7 1.5 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 mt -86.52 175.81 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.749 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -96.33 94.71 7.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.01 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.16 -144.63 4.08 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.392 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . 0.434 ' O ' HG22 ' D' ' 16' ' ' THR . 31.4 mt-10 -142.03 160.84 39.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . 0.434 HG22 ' O ' ' D' ' 15' ' ' GLU . 15.0 t 44.58 38.16 2.54 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.937 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 12.7 m -60.18 -56.96 15.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.251 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 7.7 p 58.3 110.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.45 146.43 10.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.18 25.77 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.658 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 10.7 m -90.88 73.67 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.325 0.583 . . . . 0.0 111.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -102.66 148.18 25.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.966 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.72 -43.05 65.43 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.93 -30.96 70.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.509 ' O ' HG23 ' D' ' 29' ' ' VAL . 74.8 m -63.07 -38.89 92.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.686 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.579 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.1 t80 -66.33 -46.11 77.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.8 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -55.96 -54.04 49.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.165 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -67.89 -48.99 64.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.575 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 61.4 t -64.04 -44.75 97.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.579 HG23 ' O ' ' D' ' 26' ' ' PHE . 54.2 t -69.46 -46.69 75.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -63.43 -45.34 91.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.927 0.394 . . . . 0.0 110.768 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -64.78 -42.65 94.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.723 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.573 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.1 t80 -67.78 -47.56 68.83 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.547 ' HB3' HG21 ' D' ' 39' ' ' VAL . 30.2 m-85 -77.45 -32.86 54.73 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -29.23 38.05 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.938 0.399 . . . . 0.0 111.142 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.31 -16.96 51.19 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.927 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.51 ' OD1' HG23 ' D' ' 39' ' ' VAL . 11.2 p30 -104.2 -14.91 15.67 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 111.917 0.339 . . . . 0.0 111.917 -179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.01 17.6 3.03 Favored Glycine 0 CA--C 1.522 0.523 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.491 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.547 HG21 ' HB3' ' D' ' 34' ' ' PHE . 21.8 t -89.27 143.69 10.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 117.207 0.503 . . . . 0.0 110.968 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.6 -178.71 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.189 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 114.27 -143.49 18.0 Favored Glycine 0 CA--C 1.517 0.182 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.539 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -150.79 157.99 43.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.947 0.403 . . . . 0.0 111.201 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -72.92 121.68 20.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.337 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -113.04 140.11 48.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.756 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.92 146.27 49.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.574 179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.28 157.44 37.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.71 132.47 48.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.43 141.82 40.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.525 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 27.5 m -138.5 156.64 47.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.572 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -115.01 147.87 39.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.066 0.46 . . . . 0.0 111.174 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 16.6 m -141.53 128.77 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -81.61 118.4 22.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.402 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -95.91 126.13 40.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.191 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -71.26 155.44 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.218 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.845 HG22 ' HG2' ' D' ' 56' ' ' GLU . 57.6 m -143.18 -76.02 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.279 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . 0.845 ' HG2' HG22 ' D' ' 55' ' ' THR . 7.2 pt-20 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.912 0.386 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -89.99 124.25 34.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.713 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.456 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 38.8 m-85 -109.2 128.71 55.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.377 0.608 . . . . 0.0 111.776 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -106.53 128.07 53.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.0 t -142.35 124.35 13.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 mt -96.61 117.28 40.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.4 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.564 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -106.94 124.93 50.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.189 179.045 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -148.35 89.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.151 0.5 . . . . 0.0 111.427 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -95.17 59.6 1.66 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.04 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -160.15 97.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.044 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -158.55 93.45 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.725 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt 66.14 87.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -160.78 101.33 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.766 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.64 -35.31 85.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.676 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -77.78 174.63 10.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.931 0.396 . . . . 0.0 111.127 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -122.55 88.96 3.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.654 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.2 p -98.04 -176.38 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.245 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.1 p -74.34 -27.06 60.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.224 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 64.56 133.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.912 0.387 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.527 ' HB1' ' OD1' ' B' ' 37' ' ' ASN . . . -78.87 -72.13 0.4 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.5 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.408 HG13 ' HG ' ' A' ' 7' ' ' LEU . 13.6 t -70.14 63.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.169 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 25' ' ' THR . 13.0 t70 -102.42 144.86 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.388 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.459 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.54 -44.55 56.45 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.428 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.81 -31.81 72.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.214 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 29' ' ' VAL . 18.6 m -63.62 -40.76 97.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.738 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.778 ' O ' HG23 ' A' ' 30' ' ' VAL . 31.8 t80 -64.87 -46.93 79.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.806 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 45.9 mt-10 -57.56 -48.64 78.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.604 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -67.87 -45.44 74.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 25' ' ' THR . 63.5 t -63.14 -42.32 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 26' ' ' PHE . 39.9 t -70.28 -44.86 77.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -63.96 -46.19 85.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.978 0.418 . . . . 0.0 110.766 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -65.2 -42.49 93.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.487 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.529 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.74 -48.1 67.4 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.451 ' HB3' HG21 ' A' ' 39' ' ' VAL . 34.6 m-85 -77.2 -30.6 54.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.87 -30.23 57.33 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 120.524 -0.47 . . . . 0.0 110.955 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -62.02 -18.39 60.4 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.635 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 34' ' ' PHE . 6.2 m-80 -101.82 -19.16 15.43 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.702 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 16.34 3.04 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.191 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 34' ' ' PHE . 38.7 t -88.57 143.06 11.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.911 0.356 . . . . 0.0 110.559 179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -153.09 -175.99 5.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 111.213 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.97 -145.09 18.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.435 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -151.07 158.37 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 83.9 m95 -72.78 118.78 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.234 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.425 HG21 ' OG1' ' C' ' 53' ' ' THR . 57.5 p -112.75 139.54 48.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.537 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -70.81 143.61 51.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.2 157.96 36.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.801 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.21 132.52 48.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.721 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.82 140.56 36.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.927 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.5 m -136.22 156.43 48.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.679 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -126.17 122.83 36.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.937 0.399 . . . . 0.0 111.391 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.8 m -108.43 132.95 53.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.305 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -80.25 118.17 21.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.69 0.281 . . . . 0.0 111.344 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.43 ' OG1' HG21 ' C' ' 44' ' ' THR . 92.1 m -92.12 119.44 31.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.273 179.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.91 155.81 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.782 0.325 . . . . 0.0 111.049 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.578 HG22 ' HG2' ' A' ' 56' ' ' GLU . 88.0 m -147.32 -84.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.153 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.578 ' HG2' HG22 ' A' ' 55' ' ' THR . 3.7 pt-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.118 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 121.023 0.439 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -90.2 124.24 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.707 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.459 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 38.9 m-85 -108.96 128.69 55.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.353 0.597 . . . . 0.0 111.905 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -106.56 128.02 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 17.5 t -142.41 124.28 12.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.065 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 21.9 mt -96.66 117.35 40.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.569 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.3 OUTLIER -106.84 125.17 50.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.244 179.217 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -149.53 102.63 3.2 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.055 0.455 . . . . 0.0 111.711 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.54 69.55 0.4 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.608 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 mttp 60.0 172.37 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -77.71 147.07 35.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 59.47 -179.3 0.09 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.745 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -88.52 171.3 10.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 143.89 49.49 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.364 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -113.41 64.5 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 3.1 t -70.71 143.36 51.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.999 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 54.49 -84.67 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.591 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -71.48 176.64 4.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.918 0.389 . . . . 0.0 111.331 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -113.73 174.21 6.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.618 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.15 56.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.918 0.39 . . . . 0.0 111.221 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.413 HG13 ' HG ' ' B' ' 7' ' ' LEU . 20.0 t 52.75 68.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.111 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' B' ' 25' ' ' THR . 13.0 t70 -102.39 144.17 31.2 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.355 0.598 . . . . 0.0 112.055 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.456 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.64 -44.89 57.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.56 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.36 -31.87 72.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.87 0.367 . . . . 0.0 111.244 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.738 ' O ' HG23 ' B' ' 29' ' ' VAL . 18.4 m -63.62 -40.82 97.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.637 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.775 ' O ' HG23 ' B' ' 30' ' ' VAL . 31.8 t80 -64.77 -46.9 80.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -57.52 -48.77 78.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.658 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -67.72 -45.55 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 25' ' ' THR . 63.0 t -63.05 -42.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.775 HG23 ' O ' ' B' ' 26' ' ' PHE . 40.3 t -70.22 -44.88 77.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 11.9 tmtt? -63.93 -46.1 86.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.003 0.43 . . . . 0.0 110.798 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.2 -42.61 93.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.474 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.521 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.7 t80 -67.63 -48.23 67.35 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.467 ' HB3' HG21 ' B' ' 39' ' ' VAL . 34.6 m-85 -77.1 -30.75 55.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -54.84 -30.28 57.21 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.975 178.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -61.93 -18.41 60.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.739 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.527 ' OD1' ' HB1' ' A' ' 20' ' ' ALA . 6.0 m-80 -101.82 -19.35 15.36 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.04 16.25 2.97 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.23 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' B' ' 34' ' ' PHE . 38.3 t -88.56 143.03 12.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.873 0.336 . . . . 0.0 110.524 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -153.13 -176.16 5.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.93 0.395 . . . . 0.0 111.203 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.12 -145.16 18.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.38 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -151.04 158.54 44.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 111.015 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -72.93 118.7 16.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.082 0.467 . . . . 0.0 111.219 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.419 HG21 ' OG1' ' D' ' 53' ' ' THR . 61.6 p -112.75 139.67 48.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.416 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.88 143.58 50.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.87 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.22 157.91 36.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.752 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -66.16 132.57 48.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.752 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.91 140.75 36.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.962 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 19.1 m -136.83 156.57 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.487 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -126.0 123.44 38.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 0.0 111.338 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 23.5 m -108.81 132.97 53.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.257 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -80.43 118.24 21.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.314 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.405 ' OG1' HG21 ' D' ' 44' ' ' THR . 88.7 m -92.17 119.4 31.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.366 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.78 155.77 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 110.959 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.581 HG22 ' HG2' ' B' ' 56' ' ' GLU . 89.6 m -147.32 -84.6 0.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.581 ' HG2' HG22 ' B' ' 55' ' ' THR . 3.7 pt-20 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -90.04 124.3 34.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.672 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.461 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 39.0 m-85 -109.21 128.81 55.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.398 0.618 . . . . 0.0 111.821 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -106.57 128.03 53.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.971 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 t -142.36 124.46 13.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 21.8 mt -96.71 117.24 40.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.505 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.569 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.3 OUTLIER -107.07 125.04 50.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.083 179.184 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -148.95 102.14 3.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.99 0.424 . . . . 0.0 112.015 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.25 -40.87 7.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.98 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -65.77 91.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.724 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.58 85.68 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.453 HD22 ' N ' ' C' ' 12' ' ' LEU . 3.8 mm? 61.34 175.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.239 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 pttm -101.05 62.64 0.98 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.027 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.82 -54.62 2.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -172.37 133.75 0.66 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.37 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 5.0 m -134.24 -55.37 0.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.713 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 1.9 m 68.56 -66.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.242 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 1.8 t -151.74 -48.61 0.11 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.843 0.354 . . . . 0.0 110.95 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -135.18 141.01 45.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.77 76.26 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.777 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.43 HG13 ' HG ' ' C' ' 7' ' ' LEU . 21.2 t 53.06 69.15 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.174 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' C' ' 25' ' ' THR . 13.1 t70 -102.28 144.24 31.05 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.413 0.625 . . . . 0.0 112.039 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.457 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -50.87 -44.95 59.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.578 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.2 -31.96 73.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 111.224 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.76 ' O ' HG23 ' C' ' 29' ' ' VAL . 18.1 m -63.77 -40.63 97.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.711 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.776 ' O ' HG23 ' C' ' 30' ' ' VAL . 31.8 t80 -64.78 -46.84 80.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.402 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 45.6 mt-10 -57.55 -48.62 78.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.684 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -67.74 -45.53 74.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.76 HG23 ' O ' ' C' ' 25' ' ' THR . 63.0 t -63.12 -42.41 96.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.776 HG23 ' O ' ' C' ' 26' ' ' PHE . 40.3 t -70.24 -44.99 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 12.0 tmtt? -63.79 -46.13 86.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.999 0.428 . . . . 0.0 110.781 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -65.24 -42.58 93.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.541 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.557 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.7 t80 -67.57 -48.35 67.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.447 ' HB3' HG21 ' C' ' 39' ' ' VAL . 34.5 m-85 -76.94 -30.67 56.17 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -54.87 -30.25 57.48 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.962 178.601 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -61.96 -18.43 60.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.728 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' C' ' 34' ' ' PHE . 6.2 m-80 -101.7 -19.3 15.45 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.748 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.86 16.42 2.99 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.327 -0.94 . . . . 0.0 113.286 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' C' ' 34' ' ' PHE . 39.2 t -88.67 143.06 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.912 0.356 . . . . 0.0 110.51 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -153.09 -176.31 5.72 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.931 0.396 . . . . 0.0 111.278 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.21 -145.08 18.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -151.14 158.57 44.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 111.005 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . 0.402 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 83.7 m95 -72.97 118.7 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.286 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . 0.43 HG21 ' OG1' ' A' ' 53' ' ' THR . 60.5 p -112.79 139.65 48.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.525 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -70.83 143.57 51.06 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.872 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.23 157.9 36.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -66.29 132.67 48.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.799 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 140.64 36.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.009 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 20.3 m -136.41 156.51 48.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.623 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -126.28 122.74 36.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.051 0.453 . . . . 0.0 111.288 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 23.1 m -108.23 132.9 53.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.174 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -80.3 117.76 21.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.803 0.335 . . . . 0.0 111.331 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . 0.425 ' OG1' HG21 ' A' ' 44' ' ' THR . 91.1 m -91.64 119.38 31.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.387 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.87 155.98 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.041 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.601 HG22 ' HG2' ' C' ' 56' ' ' GLU . 89.5 m -147.37 -84.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.207 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . 0.601 ' HG2' HG22 ' C' ' 55' ' ' THR . 3.8 pt-20 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.026 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.797 0.332 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -90.01 124.21 34.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.736 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.457 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 39.0 m-85 -109.05 128.78 55.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.285 0.565 . . . . 0.0 111.864 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -106.66 127.99 53.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 t -142.35 124.07 12.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 21.7 mt -96.4 117.14 40.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.479 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.563 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.3 OUTLIER -104.87 123.5 47.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -158.29 -45.62 0.06 Allowed 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.391 0.615 . . . . 0.0 110.182 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.16 58.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.459 -179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.14 150.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 111.11 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . 0.563 HG22 ' HG ' ' D' ' 12' ' ' LEU . 23.0 m -71.75 132.12 44.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.224 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.563 ' HG ' HG22 ' D' ' 11' ' ' THR . 15.0 mt 60.28 168.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.291 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -73.31 116.21 13.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.668 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.93 70.33 0.51 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.837 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 61.37 117.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 111.165 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -87.83 121.48 30.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.973 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -136.06 -66.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.746 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -142.16 -78.29 0.25 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 61.62 119.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.24 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.68 16.89 21.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.827 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.415 HG13 ' HG ' ' D' ' 7' ' ' LEU . 11.2 t -75.8 62.5 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.945 0.402 . . . . 0.0 111.343 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' D' ' 25' ' ' THR . 12.9 t70 -102.44 144.97 30.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.304 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -50.51 -44.68 56.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.476 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.64 -32.02 73.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.205 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.75 ' O ' HG23 ' D' ' 29' ' ' VAL . 18.3 m -63.64 -40.6 97.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.789 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.78 ' O ' HG23 ' D' ' 30' ' ' VAL . 32.0 t80 -64.89 -46.89 79.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.833 179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 45.7 mt-10 -57.52 -48.64 78.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.695 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -67.85 -45.48 74.49 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.75 HG23 ' O ' ' D' ' 25' ' ' THR . 62.3 t -63.0 -42.4 96.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.78 HG23 ' O ' ' D' ' 26' ' ' PHE . 40.0 t -70.35 -44.83 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.35 -0.387 . . . . 0.0 112.029 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -63.97 -46.19 85.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.942 0.401 . . . . 0.0 110.765 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -65.1 -42.54 93.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.549 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.7 t80 -67.86 -48.16 66.91 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' D' ' 39' ' ' VAL . 34.5 m-85 -77.06 -30.55 55.61 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -30.24 59.12 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.951 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -61.93 -18.49 60.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.691 179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' D' ' 34' ' ' PHE . 6.0 m-80 -101.73 -19.34 15.42 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.93 16.29 3.0 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.265 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' D' ' 34' ' ' PHE . 38.3 t -88.48 143.11 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.922 0.361 . . . . 0.0 110.593 179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -153.28 -176.18 5.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.986 0.422 . . . . 0.0 111.173 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.1 -145.0 18.63 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.384 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -151.1 158.54 44.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 111.001 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 83.8 m95 -72.85 118.66 16.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.057 0.456 . . . . 0.0 111.255 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . 0.405 HG21 ' OG1' ' B' ' 53' ' ' THR . 62.3 p -112.71 139.64 48.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.432 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.78 143.62 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.85 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.27 157.86 36.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.22 132.72 49.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.587 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.81 140.47 36.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.112 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 19.5 m -135.77 156.29 49.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.651 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -125.97 122.68 36.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.962 0.411 . . . . 0.0 111.19 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 23.2 m -108.46 132.84 53.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.247 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -80.27 117.92 21.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.771 0.32 . . . . 0.0 111.321 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . 0.419 ' OG1' HG21 ' B' ' 44' ' ' THR . 90.8 m -91.73 119.4 31.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.396 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.402 HG12 ' N ' ' D' ' 55' ' ' THR . 5.6 t -70.88 155.99 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.729 0.3 . . . . 0.0 110.995 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.595 HG22 ' HG2' ' D' ' 56' ' ' GLU . 88.4 m -147.52 -84.83 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . 0.595 ' HG2' HG22 ' D' ' 55' ' ' THR . 3.7 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.076 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.74 0.305 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -90.69 126.69 36.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.472 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.548 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 37.7 m-85 -109.3 126.25 53.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.377 0.608 . . . . 0.0 112.254 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -106.48 122.18 45.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.482 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.16 128.86 19.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.975 0.417 . . . . 0.0 111.772 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 30.7 mt -92.69 119.73 40.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.014 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.753 HD11 ' CE1' ' B' ' 34' ' ' PHE . 3.9 tp -134.31 112.51 11.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -151.61 -57.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.766 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.08 44.94 0.6 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.488 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' ' 11' ' ' THR . 3.9 tmtt? -169.65 69.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.956 0.408 . . . . 0.0 110.778 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 10' ' ' LYS . 1.9 p -161.04 38.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 13' ' ' LYS . 1.2 pp -162.44 -43.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.057 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' N ' HD12 ' A' ' 12' ' ' LEU . 29.5 tttp -150.4 158.35 44.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.21 -33.89 16.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.551 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.9 93.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.7 m -101.72 111.74 24.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -141.92 -49.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.793 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 18' ' ' THR . 3.7 t -86.73 83.93 7.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.44 126.34 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.91 -68.88 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.516 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.4 m -74.97 70.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.194 0.521 . . . . 0.0 111.463 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' O ' ' HB ' ' A' ' 25' ' ' THR . 20.0 t70 -102.53 144.03 31.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.108 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.533 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.97 -43.47 66.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.206 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.84 -32.63 74.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.773 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.512 ' O ' HG23 ' A' ' 29' ' ' VAL . 39.3 m -63.52 -37.87 88.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.243 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 30' ' ' VAL . 30.4 t80 -64.11 -50.36 68.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.915 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -56.87 -49.25 76.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.805 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.38 -50.81 62.23 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.413 0.524 . . . . 0.0 112.413 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.574 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 66.1 t -64.27 -43.56 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.7 t -69.84 -45.6 76.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.153 -178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 74.5 tttt -64.88 -45.36 86.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.047 0.451 . . . . 0.0 110.635 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.92 -42.74 94.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.589 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 5.3 t80 -67.36 -47.27 70.91 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.747 ' CE1' HD11 ' B' ' 7' ' ' LEU . 30.3 m-85 -77.48 -29.97 52.91 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -55.0 -29.4 57.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.123 0.487 . . . . 0.0 110.919 179.318 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -60.72 -17.9 51.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.846 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.593 ' OD1' HG23 ' A' ' 39' ' ' VAL . 13.2 p30 -103.56 -17.8 15.03 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.49 15.8 2.39 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.201 -1.0 . . . . 0.0 113.612 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.593 HG23 ' OD1' ' A' ' 37' ' ' ASN . 22.5 t -89.44 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.029 0.414 . . . . 0.0 111.014 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -156.7 -179.47 8.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.92 -144.54 17.93 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.248 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -148.84 156.23 42.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -73.04 118.54 16.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.155 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.5 p -110.98 140.52 45.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.423 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -70.74 143.01 51.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.722 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' HB2' ' HB ' ' C' ' 49' ' ' THR . 1.0 OUTLIER -71.85 158.67 35.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.043 -179.75 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.15 130.35 42.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.709 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.79 142.77 33.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.874 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 26.1 m -137.57 156.36 48.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.367 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -125.1 120.54 31.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.007 0.432 . . . . 0.0 111.382 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -106.62 132.94 52.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.298 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.9 118.49 22.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.367 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.1 m -92.93 123.1 35.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.448 179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.32 155.79 7.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.923 0.392 . . . . 0.0 111.158 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.2 m -148.97 -69.03 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.921 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.738 0.304 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.68 126.61 36.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.562 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.533 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.6 m-85 -109.29 126.23 53.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.364 0.602 . . . . 0.0 112.246 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.49 122.15 45.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.42 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.18 128.88 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.032 0.444 . . . . 0.0 111.742 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.1 mt -92.69 119.87 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.995 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.747 HD11 ' CE1' ' A' ' 34' ' ' PHE . 3.9 tp -134.31 112.42 11.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -152.6 -61.27 0.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 0.0 110.693 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.43 -84.47 0.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.64 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.1 -173.95 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.676 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.7 t -164.3 37.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.978 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -112.67 -36.27 5.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.09 39.13 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.95 -62.38 4.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -90.35 173.83 7.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 33.3 m -73.07 80.54 1.23 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.791 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.401 ' O ' ' N ' ' B' ' 19' ' ' GLU . 3.0 m -135.04 -57.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.082 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 62.7 p 55.79 -84.48 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.392 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' B' ' 17' ' ' THR . 54.2 mt-10 -59.44 118.36 5.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 111.024 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.407 ' C ' HG22 ' B' ' 21' ' ' VAL . . . -169.18 77.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.246 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.407 HG22 ' C ' ' B' ' 20' ' ' ALA . 5.3 m 43.01 77.06 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.967 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.452 ' O ' ' HB ' ' B' ' 25' ' ' THR . 19.7 t70 -102.23 143.55 31.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.338 0.59 . . . . 0.0 111.903 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -53.29 -43.63 67.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.211 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.59 74.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.766 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.515 ' O ' HG23 ' B' ' 29' ' ' VAL . 39.1 m -63.54 -37.8 88.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.215 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.637 ' O ' HG23 ' B' ' 30' ' ' VAL . 30.6 t80 -64.27 -50.37 68.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.876 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -56.8 -49.23 75.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.83 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.4 -50.77 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.573 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 66.2 t -64.32 -43.6 97.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.5 t -69.79 -45.62 76.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.173 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.434 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 74.4 tttt -64.94 -45.29 86.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.007 0.432 . . . . 0.0 110.615 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.99 -42.67 94.31 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.609 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.574 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.4 t80 -67.44 -47.24 70.74 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.753 ' CE1' HD11 ' A' ' 7' ' ' LEU . 30.6 m-85 -77.56 -29.91 52.4 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 1.0 OUTLIER -54.98 -29.36 56.82 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.071 0.462 . . . . 0.0 110.899 179.266 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -60.78 -17.9 51.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.837 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.59 ' OD1' HG23 ' B' ' 39' ' ' VAL . 13.1 p30 -103.57 -17.81 15.02 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.48 15.71 2.41 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.207 -0.997 . . . . 0.0 113.531 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.59 HG23 ' OD1' ' B' ' 37' ' ' ASN . 22.4 t -89.33 143.09 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 117.168 0.484 . . . . 0.0 111.015 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -156.76 -179.73 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.968 0.413 . . . . 0.0 111.251 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.26 -144.43 17.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.28 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -148.95 156.2 41.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -72.99 118.53 16.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 81.8 p -110.92 140.4 45.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.444 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.62 142.87 51.62 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.706 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.76 158.72 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.08 130.09 42.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.31 142.43 31.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.714 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' D' ' 46' ' ' ASP . 26.7 m -137.41 156.29 48.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.356 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -125.14 120.57 31.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.992 0.425 . . . . 0.0 111.397 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.64 133.07 51.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.347 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -81.1 118.5 22.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 90.0 m -92.88 123.23 35.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.41 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.41 155.89 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.97 0.414 . . . . 0.0 111.155 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 52.6 m -149.06 -69.07 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.004 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.811 0.338 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.71 126.65 36.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.495 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.543 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 37.7 m-85 -109.25 126.25 53.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.364 0.602 . . . . 0.0 112.225 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.54 122.08 45.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.404 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.11 128.87 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.713 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.2 mt -92.77 119.94 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.997 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.753 HD11 ' CE1' ' D' ' 34' ' ' PHE . 3.9 tp -134.31 112.39 10.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -152.63 -66.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.028 0.442 . . . . 0.0 110.916 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.39 53.96 0.91 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.568 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt 59.67 178.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.976 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 22.7 m -118.62 83.3 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.1 mp -61.69 -32.98 73.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 18.1 pttm 44.67 33.99 1.06 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.588 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.43 -134.58 1.67 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.548 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -85.06 124.17 31.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.33 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -91.51 163.29 14.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.95 -55.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 1.5 p -126.83 123.97 38.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.54 164.43 33.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.37 -61.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -74.87 72.23 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.014 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' C' ' 25' ' ' THR . 20.0 t70 -102.43 144.01 31.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.243 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.535 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -52.95 -43.57 66.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.205 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.83 -32.57 74.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.838 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.508 ' O ' HG23 ' C' ' 29' ' ' VAL . 40.0 m -63.56 -37.81 88.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.216 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.632 ' O ' HG23 ' C' ' 30' ' ' VAL . 30.4 t80 -64.23 -50.32 68.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.878 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -56.86 -49.39 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.769 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.24 -50.87 62.3 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.551 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 66.9 t -64.25 -43.64 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.632 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.8 t -69.75 -45.71 76.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.19 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . 0.437 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 74.4 tttt -64.75 -45.43 86.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.065 0.46 . . . . 0.0 110.692 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -64.95 -42.62 94.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.677 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.558 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.3 t80 -67.37 -47.26 70.9 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.755 ' CE1' HD11 ' D' ' 7' ' ' LEU . 30.6 m-85 -77.47 -30.05 52.99 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 1.0 OUTLIER -54.94 -29.43 56.49 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.073 0.463 . . . . 0.0 110.865 179.349 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -60.79 -17.75 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.87 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.604 ' OD1' HG23 ' C' ' 39' ' ' VAL . 13.0 p30 -103.59 -17.86 14.99 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.46 15.84 2.39 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.196 -1.002 . . . . 0.0 113.545 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.604 HG23 ' OD1' ' C' ' 37' ' ' ASN . 22.5 t -89.44 143.16 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 117.073 0.437 . . . . 0.0 110.928 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -156.77 -179.58 8.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.993 0.425 . . . . 0.0 111.174 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.12 -144.48 17.81 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.254 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.84 156.25 42.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -73.0 118.45 15.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.271 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 81.9 p -110.88 140.56 45.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.343 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -70.7 142.99 51.47 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.724 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.95 158.77 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.936 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -66.22 130.41 43.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.749 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.74 142.63 33.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.779 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . 0.406 ' HB ' ' HB2' ' A' ' 46' ' ' ASP . 26.4 m -137.4 156.31 48.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.387 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -125.11 120.5 31.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.967 0.413 . . . . 0.0 111.396 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 24.3 m -106.52 133.02 51.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.315 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -80.88 118.49 22.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.356 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -92.96 123.17 36.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.482 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.32 155.84 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 111.142 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 54.5 m -149.06 -69.08 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.92 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.792 0.33 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -90.61 126.62 36.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.515 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.535 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.5 m-85 -109.32 126.28 53.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.37 0.605 . . . . 0.0 112.243 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -106.52 122.17 45.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.446 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.19 129.03 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.078 0.466 . . . . 0.0 111.71 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.3 mt -92.83 119.91 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.018 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.755 HD11 ' CE1' ' C' ' 34' ' ' PHE . 3.9 tp -134.24 112.38 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -153.71 -66.74 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.114 0.483 . . . . 0.0 111.003 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.75 -91.42 0.2 Allowed Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.108 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm 61.86 126.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . 0.549 ' C ' HD23 ' D' ' 12' ' ' LEU . 19.3 m 62.77 143.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.057 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.59 ' N ' HD23 ' D' ' 12' ' ' LEU . 0.7 OUTLIER -168.48 121.74 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.841 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -129.4 133.34 47.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.989 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.84 106.68 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.67 117.01 19.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 22.7 m -137.52 -50.76 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.503 HG22 ' H ' ' D' ' 18' ' ' THR . 0.2 OUTLIER -96.46 176.66 5.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . 0.503 ' H ' HG22 ' D' ' 17' ' ' THR . 28.3 p -104.56 -35.92 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -87.87 171.62 10.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.25 53.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 5.4 m 43.14 76.22 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.789 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' D' ' 25' ' ' THR . 19.8 t70 -102.18 143.41 32.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.858 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.543 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -53.16 -43.79 67.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.179 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.49 -32.54 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.513 ' O ' HG23 ' D' ' 29' ' ' VAL . 41.2 m -63.51 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.224 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.641 ' O ' HG23 ' D' ' 30' ' ' VAL . 30.2 t80 -64.17 -50.31 68.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.901 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -56.88 -49.32 75.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.8 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -66.35 -50.83 62.23 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.558 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 66.4 t -64.26 -43.61 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.641 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.6 t -69.83 -45.58 76.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.123 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . 0.432 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 74.5 tttt -64.88 -45.36 86.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.988 0.423 . . . . 0.0 110.637 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -65.02 -42.63 94.25 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.578 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.551 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.3 t80 -67.48 -47.3 70.45 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.753 ' CE1' HD11 ' C' ' 7' ' ' LEU . 30.5 m-85 -77.42 -30.04 53.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 1.0 OUTLIER -54.96 -29.45 56.82 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.015 0.436 . . . . 0.0 110.858 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -60.7 -17.77 50.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.942 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.597 ' OD1' HG23 ' D' ' 39' ' ' VAL . 13.1 p30 -103.62 -17.79 15.0 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.49 15.66 2.42 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.226 -0.987 . . . . 0.0 113.605 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.597 HG23 ' OD1' ' D' ' 37' ' ' ASN . 22.1 t -89.41 143.18 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 117.116 0.458 . . . . 0.0 110.986 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -156.65 -178.92 7.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.171 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.46 -144.63 18.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.312 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -148.84 156.26 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.852 0.358 . . . . 0.0 110.971 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 91.1 m95 -72.95 118.42 15.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.236 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.6 p -110.9 140.47 45.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.526 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -70.6 142.96 51.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.762 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' B' ' 49' ' ' THR . 1.0 OUTLIER -71.86 158.75 35.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -179.722 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -66.11 130.04 41.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.791 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 142.48 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.699 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 26.9 m -137.58 156.34 48.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.314 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -125.0 120.61 32.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.401 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 24.3 m -106.71 132.94 52.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.377 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -80.93 118.56 22.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.403 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 91.2 m -92.98 123.11 35.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.514 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.32 155.8 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 111.24 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 53.5 m -148.95 -68.96 0.22 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.91 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.745 0.307 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -86.51 123.28 31.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.411 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 37.3 m-85 -110.73 130.45 55.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.402 0.62 . . . . 0.0 112.201 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -106.4 126.02 51.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.627 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.527 HG12 HD12 ' A' ' 7' ' ' LEU . 23.5 t -142.14 128.0 18.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.963 0.411 . . . . 0.0 111.303 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.8 mt -93.34 125.42 45.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.571 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.767 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.0 OUTLIER -135.08 114.03 12.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.241 179.09 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -154.49 109.99 3.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.822 0.344 . . . . 0.0 111.141 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.02 99.93 1.44 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.486 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -72.11 123.6 23.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.354 . . . . 0.0 110.957 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.511 HG22 ' HG3' ' A' ' 13' ' ' LYS . 15.0 m 61.8 106.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tt -95.67 97.0 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' HG3' HG22 ' A' ' 11' ' ' THR . 44.2 mtpt -105.65 -175.92 2.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.774 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.57 29.78 11.79 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.669 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -131.84 119.63 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -95.51 108.93 21.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.653 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.2 m -136.06 -54.78 0.76 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.169 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -146.98 156.84 43.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 63.34 125.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.65 45.96 0.17 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.445 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.561 HG12 ' HE2' ' B' ' 34' ' ' PHE . 3.3 m -97.35 87.19 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.929 0.395 . . . . 0.0 110.632 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 25' ' ' THR . 28.8 t70 -102.11 143.7 31.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.418 0.628 . . . . 0.0 111.789 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.26 -44.68 33.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.613 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.64 68.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.262 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.7 m -62.2 -40.71 96.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.977 0.418 . . . . 0.0 110.448 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.6 t80 -66.98 -48.31 68.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.903 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 48.7 mt-10 -56.77 -52.4 65.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.013 -179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -67.29 -49.92 62.34 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.629 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 60.7 t -62.77 -42.5 96.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 26' ' ' PHE . 63.8 t -71.37 -44.94 71.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.867 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 tttt -62.91 -46.22 88.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.003 0.43 . . . . 0.0 110.637 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -63.26 -46.42 86.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.373 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.628 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.5 t80 -67.4 -46.38 73.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.763 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 39.1 m-85 -75.12 -33.45 61.59 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.26 -31.02 63.19 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.989 0.424 . . . . 0.0 111.0 178.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -62.01 -17.65 57.89 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.119 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.654 ' OD1' HG23 ' A' ' 39' ' ' VAL . 18.9 p30 -105.74 -21.91 13.07 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.03 13.37 1.77 Allowed Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.319 -0.943 . . . . 0.0 114.183 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.654 HG23 ' OD1' ' A' ' 37' ' ' ASN . 29.3 t -89.31 143.3 11.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.557 0.679 . . . . 0.0 110.826 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -157.18 -179.02 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 111.111 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.37 -145.86 18.09 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.545 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -147.76 155.13 41.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.916 0.388 . . . . 0.0 110.986 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.417 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 97.6 m95 -73.32 117.73 15.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.197 0.522 . . . . 0.0 111.381 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -111.07 141.62 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.325 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -69.89 144.87 52.35 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.817 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.35 159.83 33.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -66.22 126.32 28.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.5 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 144.01 28.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.948 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.3 m -139.47 156.64 46.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.469 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -124.56 119.63 29.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.991 0.424 . . . . 0.0 111.348 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.9 m -105.28 133.66 49.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.459 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -80.14 118.72 22.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 92.3 m -91.9 123.21 35.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.373 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.48 154.93 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.912 0.387 . . . . 0.0 110.936 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.2 m -147.66 -68.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.065 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.849 0.357 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.41 123.12 31.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.353 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.433 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 37.2 m-85 -110.72 130.59 55.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.369 0.604 . . . . 0.0 112.287 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -106.39 126.07 51.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.612 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.528 HG12 HD12 ' B' ' 7' ' ' LEU . 23.0 t -142.13 127.89 18.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.369 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 24.4 mt -93.13 125.51 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.59 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.763 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -135.28 113.67 11.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.326 179.053 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -153.17 108.9 3.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 111.076 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.66 73.91 1.83 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.34 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -150.92 40.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.996 0.427 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -101.07 102.4 13.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 29.0 mt 57.54 105.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -73.15 113.74 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.693 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.61 -147.06 4.9 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.626 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.448 ' O ' HG22 ' B' ' 16' ' ' THR . 38.7 mt-10 -129.55 167.15 18.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.78 0.324 . . . . 0.0 111.069 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.448 HG22 ' O ' ' B' ' 15' ' ' GLU . 14.8 t 44.43 30.4 0.48 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.155 179.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.4 p -60.98 153.9 23.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.081 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 50.6 p -94.52 -37.51 11.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.16 145.44 44.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -158.36 60.28 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.243 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.554 HG12 ' HE2' ' A' ' 34' ' ' PHE . 3.2 m -98.62 87.89 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.691 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.45 ' O ' ' HB ' ' B' ' 25' ' ' THR . 28.3 t70 -101.95 143.6 31.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.398 0.618 . . . . 0.0 111.986 -179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.22 -44.89 33.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.561 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.2 -28.52 68.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.283 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.614 ' O ' HG23 ' B' ' 29' ' ' VAL . 98.8 m -62.34 -40.7 97.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.019 0.437 . . . . 0.0 110.55 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.572 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.4 t80 -66.93 -48.21 69.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.889 179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 48.5 mt-10 -56.79 -52.31 65.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.096 -179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 ttmm -67.41 -49.86 61.98 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.628 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 61.1 t -62.81 -42.57 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 26' ' ' PHE . 64.7 t -71.36 -44.9 71.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.873 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -62.9 -46.1 89.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.984 0.421 . . . . 0.0 110.629 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -63.35 -46.38 86.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.388 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.629 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.5 t80 -67.4 -46.41 73.29 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.767 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 39.1 m-85 -75.03 -33.29 61.76 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -30.98 63.35 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.978 0.418 . . . . 0.0 110.973 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.01 -17.66 57.95 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.096 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.654 ' OD1' HG23 ' B' ' 39' ' ' VAL . 18.9 p30 -105.89 -21.66 13.1 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.73 13.53 1.81 Allowed Glycine 0 CA--C 1.524 0.621 0 C-N-CA 120.334 -0.936 . . . . 0.0 114.164 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.654 HG23 ' OD1' ' B' ' 37' ' ' ASN . 30.8 t -89.3 143.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 117.527 0.664 . . . . 0.0 110.763 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -157.44 -179.24 7.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.116 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.45 -145.77 18.03 Favored Glycine 0 CA--C 1.517 0.206 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.51 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -147.92 155.01 41.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.85 0.357 . . . . 0.0 110.98 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 97.5 m95 -73.32 117.86 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.233 0.54 . . . . 0.0 111.41 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.7 p -111.24 141.65 44.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.417 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -69.86 144.79 52.43 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.859 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.43 159.86 33.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -66.07 126.02 27.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.585 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.48 144.13 26.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.123 0.487 . . . . 0.0 111.888 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.2 m -139.57 156.71 46.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.487 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.7 mtmt -124.64 119.58 29.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.066 0.46 . . . . 0.0 111.382 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 50.0 m -105.19 133.53 49.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.403 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -80.03 118.19 21.54 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.225 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 93.0 m -91.48 123.12 34.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.34 179.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 t -71.44 154.89 7.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.837 0.351 . . . . 0.0 110.983 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.6 m -147.48 -67.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.879 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.084 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tpt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.901 0.382 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -86.38 123.17 31.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.424 ' HB3' ' CE2' ' D' ' 26' ' ' PHE . 37.4 m-85 -110.71 130.37 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.276 0.56 . . . . 0.0 112.244 -179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -106.31 126.13 51.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.601 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.509 HG12 HD12 ' C' ' 7' ' ' LEU . 22.9 t -142.25 127.75 17.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.399 -179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 23.7 mt -93.18 125.56 45.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.545 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.754 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.0 OUTLIER -135.14 114.01 11.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.193 179.037 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -155.02 112.93 3.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.802 0.334 . . . . 0.0 110.989 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.69 -36.35 71.38 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.891 -0.671 . . . . 0.0 113.013 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 26.9 mttp 60.11 91.79 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 17.7 p 55.13 -169.94 0.07 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -80.17 178.52 8.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.984 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -110.13 160.47 16.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.58 -138.31 3.57 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.646 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -122.17 35.83 4.78 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.723 0.297 . . . . 0.0 111.052 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.2 m -122.3 -61.46 1.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 71.5 p -100.56 -177.06 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 32.0 p -141.27 110.39 6.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -146.3 157.9 43.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.7 34.57 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.244 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.55 HG12 ' HE2' ' D' ' 34' ' ' PHE . 3.6 m -100.06 87.7 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.353 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' C' ' 25' ' ' THR . 28.2 t70 -102.19 143.58 31.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.423 0.63 . . . . 0.0 111.819 -179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.15 -44.85 32.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.633 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.39 -28.48 67.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.304 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.62 ' O ' HG23 ' C' ' 29' ' ' VAL . 99.4 m -62.23 -40.83 97.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.953 0.406 . . . . 0.0 110.455 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.578 ' O ' HG23 ' C' ' 30' ' ' VAL . 19.3 t80 -66.88 -47.98 70.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.944 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.416 ' HA ' ' CZ2' ' C' ' 43' ' ' TRP . 49.5 mt-10 -56.98 -52.31 65.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.041 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -67.51 -49.66 62.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -178.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.645 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 60.8 t -62.78 -42.7 97.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.578 HG23 ' O ' ' C' ' 26' ' ' PHE . 64.9 t -71.21 -44.84 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.951 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -63.07 -46.04 89.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.619 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -63.23 -46.32 87.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.431 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.3 t80 -67.56 -46.35 72.94 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.773 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 39.2 m-85 -75.09 -33.25 61.61 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.41 -31.03 63.51 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.953 0.406 . . . . 0.0 110.911 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.91 -17.67 57.51 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.146 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.669 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.1 p30 -105.91 -21.73 13.08 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.97 13.29 1.79 Allowed Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.286 -0.959 . . . . 0.0 114.196 179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.669 HG23 ' OD1' ' C' ' 37' ' ' ASN . 31.7 t -89.3 143.33 11.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 117.6 0.7 . . . . 0.0 110.779 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -157.27 -179.11 7.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.958 0.409 . . . . 0.0 111.091 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.5 -145.84 18.02 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -147.68 155.04 41.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.901 0.381 . . . . 0.0 111.008 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . 0.416 ' CZ2' ' HA ' ' C' ' 27' ' ' GLU . 97.5 m95 -73.44 117.58 15.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.199 0.523 . . . . 0.0 111.29 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -111.13 141.87 44.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.326 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -69.88 145.02 52.32 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.923 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.55 159.69 33.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -66.17 126.02 27.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.508 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.4 143.93 27.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.1 0.476 . . . . 0.0 111.918 -179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -139.47 156.67 46.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.49 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mtmt -124.55 119.66 29.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 111.357 -179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 48.3 m -105.36 133.55 49.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.397 179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -80.12 118.16 21.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.297 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 95.0 m -91.32 123.25 34.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.42 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.53 154.88 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 38.8 m -147.74 -67.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.059 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.5 tpt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -86.23 123.06 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.375 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.425 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 37.0 m-85 -110.7 130.6 55.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.334 0.588 . . . . 0.0 112.185 -179.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -106.42 126.23 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.617 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.52 HG12 HD12 ' D' ' 7' ' ' LEU . 22.0 t -142.18 128.0 18.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.963 0.411 . . . . 0.0 111.444 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 23.9 mt -93.3 125.54 45.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.512 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.773 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.0 OUTLIER -135.09 113.99 11.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.212 179.062 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -154.86 110.26 3.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.799 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.91 -27.56 28.49 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.984 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 170.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.879 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 15.4 p 55.72 170.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp -80.1 165.16 22.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -81.66 120.34 24.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.069 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.57 -61.63 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.555 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -153.19 132.89 13.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 3.6 t -86.2 153.9 21.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 14.6 m -140.62 -58.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.726 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 16.6 p -131.61 -73.76 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.793 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -71.95 124.07 24.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -138.75 44.77 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.57 HG12 ' HE2' ' C' ' 34' ' ' PHE . 3.5 m -99.66 87.48 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.179 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.44 ' O ' ' HB ' ' D' ' 25' ' ' THR . 28.6 t70 -102.21 143.63 31.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.41 0.624 . . . . 0.0 111.7 -179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.22 -44.74 33.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.582 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.7 68.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.307 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.627 ' O ' HG23 ' D' ' 29' ' ' VAL . 99.0 m -62.23 -40.57 96.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.514 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.59 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.5 t80 -67.08 -48.3 68.65 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.832 179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 49.2 mt-10 -56.75 -52.37 65.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.052 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -67.32 -49.68 63.13 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 61.3 t -62.91 -42.56 96.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.59 HG23 ' O ' ' D' ' 26' ' ' PHE . 65.3 t -71.23 -45.02 72.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.916 -179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -62.82 -46.22 88.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.003 0.43 . . . . 0.0 110.584 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -63.3 -46.47 86.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.314 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.645 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.4 t80 -67.35 -46.46 73.33 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.754 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 39.2 m-85 -74.93 -33.33 61.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.36 -30.98 63.34 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.945 0.403 . . . . 0.0 111.024 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -62.1 -17.63 58.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.106 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.668 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.0 p30 -105.76 -21.88 13.08 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.95 13.34 1.79 Allowed Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.274 -0.965 . . . . 0.0 114.213 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.668 HG23 ' OD1' ' D' ' 37' ' ' ASN . 29.3 t -89.31 143.34 11.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 117.542 0.671 . . . . 0.0 110.732 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -157.21 -179.16 7.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.897 0.38 . . . . 0.0 111.085 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.49 -145.88 18.03 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.51 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -147.79 155.05 41.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.847 0.356 . . . . 0.0 111.046 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . 0.414 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 97.5 m95 -73.24 117.64 15.24 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.211 0.529 . . . . 0.0 111.411 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 65.0 p -111.02 141.79 44.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.416 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -70.1 144.87 51.96 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.857 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.34 159.7 33.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.01 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.06 126.35 28.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.55 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.79 144.1 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.132 0.492 . . . . 0.0 111.954 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 5.9 m -139.44 156.61 46.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.428 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -124.56 119.66 29.71 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.074 0.464 . . . . 0.0 111.375 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 49.7 m -105.26 133.59 49.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.392 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -80.09 118.04 21.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.3 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 92.0 m -91.41 123.29 34.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.408 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.44 154.77 7.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.956 0.408 . . . . 0.0 111.031 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 39.9 m -147.47 -67.87 0.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.843 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.032 179.805 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.838 0.351 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.41 121.62 31.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.127 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.598 ' CD2' HD13 ' B' ' 7' ' ' LEU . 41.1 m-85 -106.21 128.9 54.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.445 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.36 133.01 51.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 t -142.34 127.15 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.9 mt -100.89 117.29 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 111.443 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -105.23 120.91 42.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.004 179.097 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -154.55 107.49 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.772 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.11 71.69 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.565 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -140.46 111.64 7.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.82 0.343 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 76.8 p -85.48 143.9 28.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.709 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tp -76.88 -33.17 57.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -116.11 165.76 12.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.994 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.33 -160.59 34.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.412 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -129.84 114.8 16.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -65.64 147.83 52.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -160.05 -54.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.067 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.0 p -104.84 81.11 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.031 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -66.91 121.23 15.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.792 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB1' ' HB3' ' B' ' 37' ' ' ASN . . . -92.24 -73.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.29 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.1 t -74.37 72.38 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.215 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' O ' ' HB ' ' A' ' 25' ' ' THR . 35.0 t70 -99.83 140.79 33.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.279 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -50.51 -41.49 53.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.544 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.13 71.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.356 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.3 m -63.85 -41.06 97.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.619 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.805 ' O ' HG23 ' A' ' 30' ' ' VAL . 40.9 t80 -66.81 -46.91 73.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.04 0.448 . . . . 0.0 111.009 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 3.2 tt0 -54.89 -50.8 67.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.258 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -67.08 -44.62 79.59 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 25' ' ' THR . 64.7 t -62.44 -41.34 91.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 26' ' ' PHE . 37.2 t -67.94 -47.11 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -62.62 -46.0 90.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.959 0.409 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.78 -40.59 92.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.761 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.594 ' HZ ' HG22 ' B' ' 25' ' ' THR . 4.5 t80 -68.35 -49.59 59.16 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.411 ' HA ' ' ND2' ' A' ' 37' ' ' ASN . 30.2 m-85 -76.78 -30.99 56.73 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.67 -31.06 57.13 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.908 0.385 . . . . 0.0 111.186 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.97 -17.89 58.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.803 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 34' ' ' PHE . 4.9 m-80 -103.49 -19.93 14.22 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.0 15.85 3.06 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.501 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 39.6 t -88.99 142.73 12.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 117.234 0.517 . . . . 0.0 110.279 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -155.76 -177.48 6.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.43 . . . . 0.0 111.23 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.01 -145.21 18.15 Favored Glycine 0 N--CA 1.452 -0.3 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.259 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -148.61 155.96 41.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.934 0.397 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.443 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 83.6 m95 -73.13 121.02 19.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.394 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.7 p -113.02 138.43 49.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.363 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.84 142.61 53.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.617 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.66 158.73 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.701 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -66.32 131.73 46.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.724 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.45 141.98 34.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.044 0.45 . . . . 0.0 111.719 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.8 m -136.63 156.73 48.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.765 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -120.66 126.91 51.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.003 0.43 . . . . 0.0 111.231 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 53.2 m -115.29 129.93 56.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.42 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -81.04 121.19 25.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.557 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -96.52 122.22 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.061 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.3 t -71.04 155.59 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.216 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.1 m -148.53 -69.6 0.22 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.919 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -89.4 121.59 31.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.041 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.615 ' CD2' HD13 ' A' ' 7' ' ' LEU . 40.8 m-85 -106.2 128.87 54.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.509 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.31 132.86 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 t -142.32 127.12 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.685 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 31.5 mt -100.93 117.34 46.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 111.512 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.644 HD11 ' CD1' ' B' ' 26' ' ' PHE . 0.6 OUTLIER -105.05 121.16 43.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.067 179.063 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -155.48 114.9 3.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 0.0 111.354 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.46 79.87 0.91 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.565 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -78.63 142.42 37.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.795 0.331 . . . . 0.0 110.77 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.08 80.46 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.988 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mt -152.29 179.72 8.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.768 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? 59.78 108.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.37 102.46 0.74 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.266 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -147.52 -177.43 5.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.861 0.362 . . . . 0.0 111.027 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.0 t -60.32 164.95 3.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.423 ' O ' HG22 ' B' ' 18' ' ' THR . 1.9 p -61.83 -75.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.423 HG22 ' O ' ' B' ' 17' ' ' THR . 13.3 t 44.77 -167.87 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.98 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -65.52 -178.52 0.53 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.4 39.73 1.19 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.284 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.1 t 48.21 77.03 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.397 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.458 ' O ' ' HB ' ' B' ' 25' ' ' THR . 33.8 t70 -99.01 140.06 33.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.378 0.608 . . . . 0.0 112.269 -179.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.401 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -50.68 -41.79 56.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.472 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.19 71.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.314 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.722 ' O ' HG23 ' B' ' 29' ' ' VAL . 14.9 m -63.88 -40.82 97.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.665 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.813 ' O ' HG23 ' B' ' 30' ' ' VAL . 41.0 t80 -66.99 -46.95 72.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.444 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 3.1 tt0 -54.87 -50.77 67.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.318 -179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -66.99 -44.76 79.58 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.722 HG23 ' O ' ' B' ' 25' ' ' THR . 64.6 t -62.36 -41.3 91.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.813 HG23 ' O ' ' B' ' 26' ' ' PHE . 36.2 t -67.96 -47.17 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -62.57 -45.92 90.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.975 0.417 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.87 -40.72 91.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.755 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.593 ' HZ ' HG22 ' A' ' 25' ' ' THR . 4.5 t80 -68.23 -49.48 60.38 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.406 ' HA ' ' ND2' ' B' ' 37' ' ' ASN . 30.1 m-85 -76.76 -31.1 56.85 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.67 -30.99 56.99 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.856 0.36 . . . . 0.0 111.219 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.04 -17.74 58.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.836 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.433 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 5.1 m-80 -103.62 -20.06 14.13 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.12 15.96 3.0 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.437 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.5 t -89.14 142.8 12.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 117.223 0.512 . . . . 0.0 110.176 179.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -155.81 -177.37 6.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.384 . . . . 0.0 111.121 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.92 -145.35 18.2 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.265 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -148.61 155.87 41.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.444 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 83.5 m95 -72.9 120.99 19.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.432 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 81.2 p -113.01 138.54 49.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.37 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -69.82 142.7 53.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.692 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.63 158.56 35.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.686 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -66.21 131.92 47.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.39 141.56 35.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.059 0.456 . . . . 0.0 111.689 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -136.39 156.67 48.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.735 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -120.64 127.09 51.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.033 0.444 . . . . 0.0 111.259 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 53.3 m -115.41 129.98 56.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.455 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -81.11 121.24 25.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.553 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 92.8 m -96.59 121.94 38.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.086 178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.407 HG12 ' N ' ' B' ' 55' ' ' THR . 5.4 t -70.8 155.43 7.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.927 0.394 . . . . 0.0 111.204 -179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.407 ' N ' HG12 ' B' ' 54' ' ' VAL . 57.2 m -148.22 -69.55 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.917 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.749 0.309 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -89.5 121.69 31.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.597 ' CD2' HD13 ' D' ' 7' ' ' LEU . 41.0 m-85 -106.17 128.94 54.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.443 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.46 133.04 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.95 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 t -142.23 127.19 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.712 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 31.8 mt -100.98 117.2 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.75 0.31 . . . . 0.0 111.559 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.642 HD11 ' CD1' ' C' ' 26' ' ' PHE . 0.6 OUTLIER -105.01 121.04 42.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.088 179.026 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -155.81 114.78 3.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.357 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -75.42 120.81 6.22 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.423 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -109.74 177.03 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.106 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p 54.36 178.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.635 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 tt -139.89 103.21 4.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.754 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -135.15 150.81 50.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.08 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.77 99.59 2.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.541 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -100.22 -176.2 3.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 110.919 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -75.19 -36.59 61.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.846 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.79 -66.09 0.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -155.97 -77.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 56.35 37.96 29.3 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.45 44.49 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.48 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t 48.4 77.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.456 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' C' ' 25' ' ' THR . 34.1 t70 -99.19 140.27 33.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.49 0.662 . . . . 0.0 112.163 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.67 -41.82 55.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.506 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.14 -31.04 71.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.289 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.713 ' O ' HG23 ' C' ' 29' ' ' VAL . 14.8 m -63.75 -41.01 98.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.68 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.838 ' O ' HG23 ' C' ' 30' ' ' VAL . 40.5 t80 -66.76 -47.14 73.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.091 0.472 . . . . 0.0 110.988 179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 3.2 tt0 -54.79 -50.85 67.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.211 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -66.84 -44.98 79.64 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.713 HG23 ' O ' ' C' ' 25' ' ' THR . 64.0 t -62.21 -41.5 91.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.838 HG23 ' O ' ' C' ' 26' ' ' PHE . 37.0 t -68.01 -46.97 80.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -62.51 -46.1 89.98 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.962 0.41 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -65.78 -40.71 92.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.785 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.57 ' HZ ' HG22 ' D' ' 25' ' ' THR . 4.5 t80 -68.21 -49.54 60.12 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -76.68 -31.15 57.09 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.6 -30.98 56.19 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 111.284 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.98 -17.91 58.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.789 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -103.47 -20.01 14.2 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.16 15.84 3.02 Favored Glycine 0 CA--C 1.522 0.531 0 C-N-CA 120.56 -0.829 . . . . 0.0 113.468 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.02 142.82 12.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 117.227 0.514 . . . . 0.0 110.198 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -155.82 -177.39 6.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 111.179 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.78 -145.24 18.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.19 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -148.76 155.96 41.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 110.981 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 83.4 m95 -73.04 121.04 19.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.442 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -112.98 138.45 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.374 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.89 142.57 52.98 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.688 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.56 158.75 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.754 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -66.32 131.95 47.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.3 141.55 35.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.058 0.456 . . . . 0.0 111.664 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 14.0 m -136.36 156.67 48.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.736 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -120.81 126.92 51.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.061 0.458 . . . . 0.0 111.16 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 53.6 m -115.28 130.07 56.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.295 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -81.12 121.12 25.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.55 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -96.43 122.05 38.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.117 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.406 HG12 ' N ' ' C' ' 55' ' ' THR . 5.5 t -70.94 155.54 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.967 0.413 . . . . 0.0 111.14 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.406 ' N ' HG12 ' C' ' 54' ' ' VAL . 56.5 m -148.33 -69.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.088 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.863 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.721 0.296 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -89.46 121.5 31.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.613 ' CD2' HD13 ' C' ' 7' ' ' LEU . 40.8 m-85 -106.11 128.82 54.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.473 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -106.33 132.99 51.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.38 127.06 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.688 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 31.6 mt -100.74 117.3 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 111.559 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.647 HD11 ' CD1' ' D' ' 26' ' ' PHE . 0.5 OUTLIER -105.23 121.14 43.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.064 179.06 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -155.03 110.01 3.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.0 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.29 66.7 0.57 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.629 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.15 41.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.969 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -111.26 178.76 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.827 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 65.4 mt -96.89 -37.66 10.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -123.23 128.04 49.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.851 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.24 -83.52 0.14 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.434 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.18 148.92 21.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 8.8 t -75.69 -38.52 58.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.03 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.87 174.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 20.4 p -95.91 -47.11 6.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.987 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.42 139.61 20.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.806 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.56 -55.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.977 0.418 . . . . 0.0 111.557 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 14.6 t -73.81 72.22 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.148 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' D' ' 25' ' ' THR . 35.0 t70 -100.03 140.84 33.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.31 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.45 -41.49 52.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.49 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.44 -31.1 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.377 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.713 ' O ' HG23 ' D' ' 29' ' ' VAL . 15.2 m -63.74 -41.1 98.08 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.649 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.825 ' O ' HG23 ' D' ' 30' ' ' VAL . 40.6 t80 -66.76 -46.99 73.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.077 0.465 . . . . 0.0 110.999 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 3.2 tt0 -54.86 -50.88 67.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.187 -179.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -66.95 -44.76 79.76 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.713 HG23 ' O ' ' D' ' 25' ' ' THR . 64.4 t -62.31 -41.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.825 HG23 ' O ' ' D' ' 26' ' ' PHE . 37.2 t -67.94 -47.08 80.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 14.2 ttmt -62.64 -45.93 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -65.82 -40.61 92.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.838 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.577 ' HZ ' HG22 ' C' ' 25' ' ' THR . 4.5 t80 -68.39 -49.4 60.35 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.416 ' HA ' ' ND2' ' D' ' 37' ' ' ASN . 30.2 m-85 -76.8 -30.99 56.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.69 -31.06 57.36 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.935 0.398 . . . . 0.0 111.274 178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.92 -17.89 58.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.842 179.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' D' ' 34' ' ' PHE . 4.9 m-80 -103.58 -19.91 14.19 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.04 16.01 3.02 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 120.472 -0.871 . . . . 0.0 113.42 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 39.7 t -89.16 142.82 12.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 117.247 0.523 . . . . 0.0 110.174 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -155.83 -177.4 6.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 0.0 111.149 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.81 -145.18 18.2 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.133 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -148.81 155.95 41.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.378 . . . . 0.0 110.955 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . 0.44 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 83.4 m95 -72.92 121.01 19.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.423 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.1 p -112.94 138.39 49.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.405 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -69.73 142.69 53.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.694 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.61 158.57 35.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -66.11 131.68 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.3 141.78 34.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.678 -179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 13.9 m -136.52 156.77 48.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.808 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -120.76 127.09 51.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.041 0.448 . . . . 0.0 111.182 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 53.0 m -115.37 130.04 56.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.51 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -81.21 121.17 25.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.466 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 94.2 m -96.53 122.04 39.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.1 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.41 HG12 ' N ' ' D' ' 55' ' ' THR . 5.4 t -70.86 155.63 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.953 0.406 . . . . 0.0 111.172 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.41 ' N ' HG12 ' D' ' 54' ' ' VAL . 56.8 m -148.55 -69.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.079 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.877 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.777 0.322 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -88.83 122.21 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.401 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.534 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 40.7 m-85 -108.52 132.67 53.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 111.896 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -106.59 129.58 54.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.8 t -142.34 125.0 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.61 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.3 mt -98.24 117.21 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.717 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 0.5 OUTLIER -111.98 122.27 47.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.188 178.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -155.79 107.45 2.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.814 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.67 63.76 3.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.309 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.9 mttt 63.37 124.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.7 p -104.94 69.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.783 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.78 -40.05 4.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.778 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? 58.55 104.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.036 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 162.33 -38.93 0.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.342 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -164.53 93.99 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.903 0.383 . . . . 0.0 110.756 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.9 t -64.29 135.41 56.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.5 m -120.27 -53.99 2.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 p -97.51 137.48 36.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -130.01 105.33 7.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.688 ' O ' HG21 ' A' ' 25' ' ' THR . . . -167.08 -66.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.068 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.447 HG13 ' HG ' ' A' ' 7' ' ' LEU . 5.9 t -78.99 59.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.457 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.439 ' O ' ' HB ' ' A' ' 25' ' ' THR . 29.7 t0 -102.7 146.49 28.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.325 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -51.09 -43.14 61.0 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.21 -30.24 68.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.216 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.688 HG21 ' O ' ' A' ' 20' ' ' ALA . 30.7 m -61.71 -37.88 85.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.002 0.43 . . . . 0.0 110.392 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.685 ' O ' HG23 ' A' ' 30' ' ' VAL . 16.0 t80 -68.32 -48.73 64.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.024 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -54.24 -53.64 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.293 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -67.8 -47.55 68.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.614 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 95.0 t -63.07 -41.81 94.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 26' ' ' PHE . 57.7 t -69.74 -45.7 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -63.26 -45.15 92.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.03 0.443 . . . . 0.0 110.536 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.46 -45.41 90.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.213 179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.621 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 3.9 t80 -67.05 -47.08 72.43 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 38.1 m-85 -74.84 -32.88 62.04 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -30.5 62.96 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.943 0.401 . . . . 0.0 111.085 178.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -61.36 -17.47 54.1 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.359 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.628 ' OD1' HG23 ' A' ' 39' ' ' VAL . 20.6 p30 -107.78 -20.47 13.2 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.8 14.52 1.67 Allowed Glycine 0 CA--C 1.523 0.549 0 C-N-CA 120.246 -0.978 . . . . 0.0 114.235 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.628 HG23 ' OD1' ' A' ' 37' ' ' ASN . 21.7 t -89.73 143.53 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 117.651 0.726 . . . . 0.0 110.741 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -153.56 -178.2 6.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 111.049 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.94 -145.56 18.72 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.727 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -150.34 157.87 43.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.924 0.392 . . . . 0.0 111.135 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -72.9 119.9 17.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.236 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.5 p -113.71 139.98 48.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.524 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.03 142.57 50.9 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.92 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.56 160.34 32.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -66.07 132.23 48.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.337 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.38 139.79 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.085 0.469 . . . . 0.0 112.019 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.4 m -132.22 156.53 46.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.523 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -124.4 122.55 37.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.027 0.441 . . . . 0.0 111.287 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -109.46 128.36 55.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.194 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.05 113.55 20.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.247 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -91.69 124.57 35.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.364 179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 55' ' ' THR . 7.3 t -71.44 156.77 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.186 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.892 HG22 ' HG2' ' A' ' 56' ' ' GLU . 60.0 m -143.93 -77.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.444 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.892 ' HG2' HG22 ' A' ' 55' ' ' THR . 6.4 pt-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.01 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.836 0.35 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -88.82 122.08 31.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.545 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.524 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 40.5 m-85 -108.67 132.53 53.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.274 0.559 . . . . 0.0 111.853 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -106.43 129.82 54.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.074 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.7 t -142.37 125.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.656 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 19.5 mt -98.42 117.26 43.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.734 0.302 . . . . 0.0 111.795 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -112.03 122.94 49.16 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.234 178.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -156.64 114.88 3.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.748 0.309 . . . . 0.0 111.396 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -171.91 -100.63 0.14 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.815 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? 64.2 92.99 0.06 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.911 0.386 . . . . 0.0 110.91 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.34 124.57 20.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.1 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 tt -114.86 -48.85 2.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -102.72 110.56 22.53 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.827 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.47 -126.14 1.73 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.603 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -128.89 171.02 12.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.861 0.362 . . . . 0.0 110.914 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 16' ' ' THR . 5.0 t -66.32 110.63 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.814 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 66.5 p -147.53 160.41 42.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.052 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 8.6 t -115.42 174.98 5.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 59.24 91.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.207 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.84 29.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.473 HG13 ' HG ' ' B' ' 7' ' ' LEU . 16.6 t 53.87 65.06 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.665 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' B' ' 25' ' ' THR . 27.9 t0 -102.27 145.78 28.96 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.492 0.663 . . . . 0.0 112.148 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.534 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -51.27 -43.46 61.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.232 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.82 -30.11 68.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.285 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' B' ' 29' ' ' VAL . 31.5 m -61.83 -37.8 85.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.439 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.679 ' O ' HG23 ' B' ' 30' ' ' VAL . 16.6 t80 -68.45 -48.63 64.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.962 178.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.45 -53.47 53.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.209 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -67.79 -47.58 68.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.621 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 90.7 t -63.01 -41.88 94.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.679 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.1 t -69.67 -45.78 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -63.12 -45.2 93.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.969 0.414 . . . . 0.0 110.516 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -45.52 90.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.225 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.614 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.0 t80 -66.89 -47.12 72.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 37.8 m-85 -74.89 -32.81 61.94 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -30.53 62.98 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.944 0.402 . . . . 0.0 111.122 178.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -61.34 -17.45 53.93 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.388 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.647 ' OD1' HG23 ' B' ' 39' ' ' VAL . 20.5 p30 -107.76 -20.07 13.33 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.17 14.81 1.75 Allowed Glycine 0 CA--C 1.523 0.593 0 C-N-CA 120.18 -1.01 . . . . 0.0 114.24 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.647 HG23 ' OD1' ' B' ' 37' ' ' ASN . 21.8 t -89.96 143.47 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 117.606 0.703 . . . . 0.0 110.672 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -153.39 -178.33 6.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.052 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.15 -145.64 18.69 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.781 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -150.32 157.81 43.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.84 0.353 . . . . 0.0 111.221 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -72.95 119.88 17.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.24 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.2 p -113.8 140.1 48.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.498 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -71.0 142.42 50.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.917 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.46 160.45 32.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -66.07 132.11 47.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.559 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.08 139.4 35.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.094 0.473 . . . . 0.0 111.822 -179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 10.0 m -132.1 156.59 46.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.552 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -124.64 122.2 36.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.065 0.459 . . . . 0.0 111.43 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 54.5 m -109.2 128.41 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.107 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -82.17 113.23 19.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.292 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.5 m -91.34 124.54 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.32 . . . . 0.0 110.302 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.434 HG12 ' N ' ' B' ' 55' ' ' THR . 8.1 t -71.62 156.91 6.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.214 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.913 HG22 ' HG2' ' B' ' 56' ' ' GLU . 60.0 m -143.93 -77.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.354 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.913 ' HG2' HG22 ' B' ' 55' ' ' THR . 6.3 pt-20 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.957 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.759 0.314 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -88.76 122.19 31.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.593 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.519 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 40.6 m-85 -108.54 132.62 53.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.245 0.545 . . . . 0.0 111.904 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -106.61 129.69 54.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.34 124.95 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.622 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 18.6 mt -98.16 117.26 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.748 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.557 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 0.5 OUTLIER -111.92 122.81 48.8 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -156.59 111.09 2.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.793 0.33 . . . . 0.0 110.997 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.62 109.52 3.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.583 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mtpp -93.73 114.99 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.729 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 58.9 p -86.87 115.92 24.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -82.29 159.46 23.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -101.38 98.95 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.781 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 152.77 -80.71 0.19 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.371 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -77.79 152.4 33.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 0.0 110.789 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -64.89 -50.23 67.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.13 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 12.8 p 55.7 174.35 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 44.9 p -134.33 132.69 39.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -75.37 140.35 42.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.471 ' O ' HG21 ' C' ' 25' ' ' THR . . . -143.01 -51.23 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.048 0.452 . . . . 0.0 111.183 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.475 HG13 ' HG ' ' C' ' 7' ' ' LEU . 11.2 t -75.87 62.13 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.458 ' O ' ' HB ' ' C' ' 25' ' ' THR . 29.9 t0 -102.51 146.36 28.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.43 0.633 . . . . 0.0 111.575 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.518 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -51.16 -43.29 61.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.119 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.08 -30.06 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.244 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.604 ' O ' HG23 ' C' ' 29' ' ' VAL . 30.9 m -61.85 -37.83 85.96 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.043 0.449 . . . . 0.0 110.457 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.664 ' O ' HG23 ' C' ' 30' ' ' VAL . 16.2 t80 -68.37 -48.77 63.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.941 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -54.24 -53.59 51.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.294 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -67.83 -47.47 68.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.608 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 90.4 t -63.06 -41.82 94.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.664 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.4 t -69.61 -45.7 77.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -63.3 -45.13 92.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.035 0.445 . . . . 0.0 110.616 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.55 -45.16 91.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.264 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.611 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 3.9 t80 -67.18 -47.11 71.95 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 38.5 m-85 -74.91 -32.91 61.92 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.44 -30.51 62.93 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.005 0.431 . . . . 0.0 111.114 178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -61.32 -17.38 53.45 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.387 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.634 ' OD1' HG23 ' C' ' 39' ' ' VAL . 20.6 p30 -107.9 -20.26 13.25 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.49 14.52 1.73 Allowed Glycine 0 CA--C 1.523 0.552 0 C-N-CA 120.244 -0.979 . . . . 0.0 114.363 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.634 HG23 ' OD1' ' C' ' 37' ' ' ASN . 21.7 t -89.72 143.52 11.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 117.5 0.65 . . . . 0.0 110.694 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -153.61 -178.1 6.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.019 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.9 -145.51 18.71 Favored Glycine 0 C--N 1.33 0.209 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.784 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -150.31 157.86 43.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.842 0.353 . . . . 0.0 111.151 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -73.04 120.05 18.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.235 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 62.0 p -113.86 140.02 48.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.541 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -70.91 142.31 51.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.94 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.27 160.44 32.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -66.23 132.42 48.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.518 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.37 139.54 36.49 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.082 0.468 . . . . 0.0 111.904 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 10.9 m -131.98 156.55 46.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.421 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -124.39 122.39 37.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.908 0.385 . . . . 0.0 111.314 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 53.8 m -109.4 128.35 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.158 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -82.24 113.54 20.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -91.57 124.54 35.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.373 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.43 HG12 ' N ' ' C' ' 55' ' ' THR . 8.8 t -71.36 156.86 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 111.137 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.89 HG22 ' HG2' ' C' ' 56' ' ' GLU . 61.4 m -144.0 -77.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.409 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . 0.89 ' HG2' HG22 ' C' ' 55' ' ' THR . 6.4 pt-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.823 0.344 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -88.8 122.1 31.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.473 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.518 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 41.1 m-85 -108.58 132.65 53.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.212 0.53 . . . . 0.0 111.919 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -106.55 129.9 54.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.094 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 20.2 t -142.36 124.98 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.671 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 18.7 mt -98.39 117.31 43.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.769 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 0.6 OUTLIER -112.04 122.87 48.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.054 178.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -156.69 114.59 3.24 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.065 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.21 97.27 0.04 OUTLIER Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.948 -0.644 . . . . 0.0 113.151 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 18.1 tttt 62.1 144.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.937 0.399 . . . . 0.0 111.236 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 5.8 p -88.43 128.12 35.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.117 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 62.4 tp 58.01 99.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.333 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? 62.47 145.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -169.08 105.63 0.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.831 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . 0.43 ' O ' HG22 ' D' ' 16' ' ' THR . 66.1 mm-40 -134.36 161.39 35.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.589 0.233 . . . . 0.0 110.562 179.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . 0.43 HG22 ' O ' ' D' ' 15' ' ' GLU . 15.1 t 44.46 36.63 1.73 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.762 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.79 164.58 13.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.903 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.65 159.34 29.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.039 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -94.3 140.74 29.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.955 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . 0.658 ' O ' HG21 ' D' ' 25' ' ' THR . . . -168.57 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.473 HG13 ' HG ' ' D' ' 7' ' ' LEU . 6.5 t -79.32 59.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.37 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.453 ' O ' ' HB ' ' D' ' 25' ' ' THR . 31.1 t0 -102.69 146.32 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.365 0.602 . . . . 0.0 111.321 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.519 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -51.06 -43.19 60.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.12 68.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.305 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.658 HG21 ' O ' ' D' ' 20' ' ' ALA . 31.6 m -61.83 -37.92 86.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.086 0.47 . . . . 0.0 110.427 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.666 ' O ' HG23 ' D' ' 30' ' ' VAL . 16.3 t80 -68.33 -48.61 64.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.981 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.34 -53.48 53.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.282 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -67.88 -47.52 68.65 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.611 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 89.4 t -63.12 -41.82 94.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.666 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.1 t -69.61 -45.9 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 30.4 tttt -63.17 -45.15 93.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.941 0.401 . . . . 0.0 110.478 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.47 -45.45 90.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.3 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.608 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 3.9 t80 -66.95 -47.19 72.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.557 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 38.1 m-85 -74.87 -32.86 61.98 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.4 -30.49 62.84 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.005 0.431 . . . . 0.0 111.107 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -61.41 -17.41 54.05 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.368 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.636 ' OD1' HG23 ' D' ' 39' ' ' VAL . 20.6 p30 -107.76 -20.06 13.33 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.31 14.62 1.75 Allowed Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.229 -0.986 . . . . 0.0 114.203 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.636 HG23 ' OD1' ' D' ' 37' ' ' ASN . 21.7 t -89.86 143.49 11.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 117.622 0.711 . . . . 0.0 110.718 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -153.53 -178.31 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.022 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.16 -145.8 18.71 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.844 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -150.15 157.75 43.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 111.21 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -72.98 120.05 18.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.254 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 66.9 p -113.86 140.01 48.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.559 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -71.04 142.58 50.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.883 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.55 160.26 32.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.83 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -66.0 132.42 48.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.466 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.66 139.83 37.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 0.0 111.952 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 10.3 m -132.13 156.63 46.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.612 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -124.59 121.99 36.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.988 0.423 . . . . 0.0 111.326 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 54.4 m -108.99 128.46 54.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.177 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -82.17 113.28 19.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 87.9 m -91.32 124.6 35.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.342 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.422 HG12 ' N ' ' D' ' 55' ' ' THR . 7.6 t -71.67 156.7 6.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.864 0.364 . . . . 0.0 111.109 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.893 HG22 ' HG2' ' D' ' 56' ' ' GLU . 59.8 m -143.78 -77.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.416 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . 0.893 ' HG2' HG22 ' D' ' 55' ' ' THR . 6.3 pt-20 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.425 ' O ' ' HA ' ' B' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.847 0.356 . . . . 0.0 111.1 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.411 ' HG3' HG23 ' D' ' 49' ' ' THR . 19.0 pt20 -91.62 124.89 36.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.161 179.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' CD2' ' B' ' 26' ' ' PHE . 43.5 m-85 -108.84 133.57 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.231 0.538 . . . . 0.0 112.093 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -106.66 126.38 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.109 -0.951 . . . . 0.0 110.559 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 7' ' ' LEU . 18.4 t -141.8 130.01 21.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.607 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' B' ' 1' ' ' MET . 24.9 mt -95.61 123.07 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.348 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.81 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.1 mp -134.48 113.44 11.83 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -152.61 -60.73 0.15 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.926 0.394 . . . . 0.0 110.819 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.502 ' N ' HG23 ' A' ' 21' ' ' VAL . . . 128.03 -60.88 0.66 Allowed Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.626 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.9 tttm 61.86 155.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.925 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 t -75.62 158.4 32.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 12' ' ' LEU . 4.5 mm? -65.82 120.97 13.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -155.32 87.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.27 53.56 6.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.435 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -155.4 151.28 27.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 111.048 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.9 m -92.28 145.67 24.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.9 p 55.38 -171.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.2 t -114.95 175.88 5.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -126.31 -173.7 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.597 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.97 51.75 0.44 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.349 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.576 HG12 ' HE2' ' B' ' 34' ' ' PHE . 3.9 m -98.68 84.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.859 0.362 . . . . 0.0 111.067 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' A' ' 25' ' ' THR . 9.9 t70 -100.45 142.9 31.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.29 0.567 . . . . 0.0 111.441 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.0 -44.69 30.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.483 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.41 -28.51 67.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.322 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 29' ' ' VAL . 95.6 m -61.81 -40.49 95.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.019 0.438 . . . . 0.0 110.511 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.652 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.2 t80 -66.9 -49.18 66.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.873 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -56.04 -53.8 52.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.2 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 ttmt -65.9 -49.71 67.04 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.702 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 62.0 t -62.53 -41.54 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 26' ' ' PHE . 66.6 t -71.42 -46.12 65.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 35.2 tttt -62.88 -45.59 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.878 0.37 . . . . 0.0 110.693 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -63.3 -46.03 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.042 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.704 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.9 t80 -67.65 -46.48 72.3 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.808 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 38.7 m-85 -74.82 -33.56 62.21 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 31' ' ' LYS . 0.9 OUTLIER -55.87 -31.02 62.42 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.012 0.434 . . . . 0.0 110.868 178.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.65 -18.3 58.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.08 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.662 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.5 p30 -105.02 -20.71 13.44 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.81 15.34 1.75 Allowed Glycine 0 CA--C 1.521 0.456 0 C-N-CA 120.106 -1.045 . . . . 0.0 114.049 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.662 HG23 ' OD1' ' A' ' 37' ' ' ASN . 30.3 t -90.12 143.07 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 117.34 0.57 . . . . 0.0 110.861 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -155.22 179.97 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.932 0.396 . . . . 0.0 111.012 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.96 -144.66 17.97 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.399 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -148.73 156.16 41.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 111.046 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -73.32 118.9 16.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.065 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.1 p -111.61 139.91 46.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.747 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.85 141.11 49.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.491 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.51 160.1 33.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.646 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.69 136.86 56.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.469 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.05 138.4 44.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.181 0.515 . . . . 0.0 111.952 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.418 HG23 ' HG3' ' D' ' 2' ' ' GLN . 47.2 m -126.67 156.51 40.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.501 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -125.02 115.97 21.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.989 0.423 . . . . 0.0 111.088 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -107.04 127.72 53.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.375 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -81.05 115.23 20.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.486 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -91.43 124.04 35.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.388 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 55' ' ' THR . 5.8 t -71.47 156.77 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.371 . . . . 0.0 111.275 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.409 ' N ' HG12 ' A' ' 54' ' ' VAL . 57.9 m -148.19 -69.08 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.916 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.433 ' HG3' HG23 ' C' ' 49' ' ' THR . 18.9 pt20 -91.49 124.71 35.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.236 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.424 ' CD1' ' CD2' ' A' ' 26' ' ' PHE . 44.2 m-85 -108.79 133.5 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.224 0.535 . . . . 0.0 112.072 -178.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -106.45 126.51 52.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.19 -0.913 . . . . 0.0 110.615 179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.495 HG12 HD12 ' B' ' 7' ' ' LEU . 18.3 t -141.92 129.87 21.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 111.586 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 1' ' ' MET . 25.6 mt -95.52 123.24 47.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.273 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.808 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.1 mp -134.56 113.0 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -153.61 -63.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.059 0.456 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.43 ' N ' HG23 ' B' ' 21' ' ' VAL . . . 170.9 -91.2 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.301 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp 56.6 102.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 111.056 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 6.8 t -141.15 148.33 39.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.968 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.85 149.27 45.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -76.21 86.12 3.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.52 -51.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.451 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.26 143.96 25.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 110.778 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.456 ' O ' HG23 ' B' ' 17' ' ' THR . 5.1 m -97.81 112.23 24.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.456 HG23 ' O ' ' B' ' 16' ' ' THR . 3.3 p -157.91 171.87 19.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.5 p -85.98 -73.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -176.6 152.73 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 37' ' ' ASN . . . -108.25 -46.72 3.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.565 HG12 ' HE2' ' A' ' 34' ' ' PHE . 3.4 m -96.43 85.37 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.685 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.457 ' O ' ' HB ' ' B' ' 25' ' ' THR . 10.1 t70 -100.27 142.62 31.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.555 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.96 -44.62 30.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.419 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.48 -28.51 67.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.384 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.589 ' O ' HG23 ' B' ' 29' ' ' VAL . 93.6 m -61.89 -40.55 95.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.404 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.643 ' HB2' HD22 ' B' ' 7' ' ' LEU . 19.1 t80 -66.78 -49.31 66.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.8 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -55.91 -53.85 51.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.175 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -65.99 -49.49 67.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.704 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 61.3 t -62.61 -41.63 92.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 26' ' ' PHE . 67.6 t -71.24 -46.42 65.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -62.68 -45.56 92.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.389 . . . . 0.0 110.718 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -63.29 -46.0 88.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.154 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.702 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.9 t80 -67.62 -46.58 72.11 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.81 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 38.6 m-85 -74.85 -33.53 62.14 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.86 -30.87 62.18 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.988 0.423 . . . . 0.0 110.84 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -61.82 -18.37 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.988 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.682 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.6 p30 -104.96 -20.73 13.45 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.82 15.04 1.79 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.102 -1.047 . . . . 0.0 114.087 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.682 HG23 ' OD1' ' B' ' 37' ' ' ASN . 30.1 t -89.91 142.98 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 117.346 0.573 . . . . 0.0 110.921 179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -155.16 179.86 8.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.081 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.26 -144.56 17.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -148.92 156.08 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.28 118.76 16.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.2 p -111.46 139.89 46.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.745 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.79 141.18 49.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.525 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.56 160.17 33.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.656 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.67 136.77 56.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.55 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.89 138.37 43.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.142 0.496 . . . . 0.0 111.914 -179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.419 HG23 ' HG3' ' C' ' 2' ' ' GLN . 47.9 m -126.64 156.61 40.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.473 179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -125.08 115.93 21.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.013 0.435 . . . . 0.0 111.079 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 55.4 m -107.1 127.87 53.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.319 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -81.04 115.13 20.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.503 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 91.9 m -91.38 123.93 35.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.356 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.423 HG12 ' N ' ' B' ' 55' ' ' THR . 6.0 t -71.4 156.83 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 0.0 111.24 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.423 ' N ' HG12 ' B' ' 54' ' ' VAL . 58.2 m -148.36 -69.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.95 -179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.426 ' O ' ' HA ' ' D' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.419 ' HG3' HG23 ' B' ' 49' ' ' THR . 18.8 pt20 -91.67 124.88 36.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.225 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.431 ' CD1' ' CD2' ' D' ' 26' ' ' PHE . 43.6 m-85 -108.78 133.47 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.277 0.561 . . . . 0.0 112.09 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -106.52 126.43 52.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.527 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.508 HG12 HD12 ' C' ' 7' ' ' LEU . 18.9 t -141.9 129.91 21.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.493 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' D' ' 1' ' ' MET . 25.2 mt -95.55 123.13 47.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.344 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.798 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.1 mp -134.55 113.25 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -152.69 -63.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.027 0.441 . . . . 0.0 111.154 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . 0.428 ' N ' HG23 ' C' ' 21' ' ' VAL . . . 108.4 133.37 6.94 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.304 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -117.22 105.13 11.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.81 169.1 11.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 mt 60.8 83.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -171.75 42.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.744 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.95 173.46 48.57 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.54 35.89 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.953 0.406 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 1.5 m -85.14 -45.12 12.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.024 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 74.6 p -118.29 -177.84 3.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 71.7 p -137.07 -62.24 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.018 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 60.7 166.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.02 61.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.578 HG12 ' HE2' ' D' ' 34' ' ' PHE . 4.0 m -101.62 85.98 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.625 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' C' ' 25' ' ' THR . 9.8 t70 -100.86 142.88 31.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.283 0.563 . . . . 0.0 111.455 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.03 -44.72 31.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.455 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.4 -28.42 67.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.379 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.598 ' O ' HG23 ' C' ' 29' ' ' VAL . 93.9 m -61.86 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 110.415 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.641 ' HB2' HD22 ' C' ' 7' ' ' LEU . 19.3 t80 -67.05 -49.26 65.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.773 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -55.94 -53.94 50.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.162 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 ttmt -65.94 -49.81 66.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.683 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 61.3 t -62.37 -41.47 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.623 HG23 ' O ' ' C' ' 26' ' ' PHE . 70.9 t -71.45 -46.08 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 35.2 tttt -62.85 -45.67 91.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.938 0.399 . . . . 0.0 110.729 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -63.11 -46.18 88.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.686 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.0 t80 -67.46 -46.59 72.6 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 38.6 m-85 -74.88 -33.55 62.09 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -30.92 62.24 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.801 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -61.77 -18.3 59.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.997 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.681 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.7 p30 -105.0 -20.79 13.42 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.79 15.3 1.76 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.099 -1.048 . . . . 0.0 114.051 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.681 HG23 ' OD1' ' C' ' 37' ' ' ASN . 30.6 t -90.04 142.89 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 117.377 0.588 . . . . 0.0 110.917 179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -155.17 179.92 8.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.925 0.393 . . . . 0.0 111.04 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.1 -144.62 17.89 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.359 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -148.89 156.07 41.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.906 0.384 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -73.25 118.76 16.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 66.3 p -111.36 139.86 46.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.735 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -71.77 141.07 49.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.51 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.55 160.16 33.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.655 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.66 136.89 56.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.498 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.97 138.27 44.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.057 0.456 . . . . 0.0 111.984 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . 0.433 HG23 ' HG3' ' B' ' 2' ' ' GLN . 46.8 m -126.61 156.58 40.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.433 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 12.6 ttmt -125.0 115.88 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 111.134 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -107.02 127.8 53.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.414 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -81.05 115.25 20.41 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.641 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 88.4 m -91.46 124.01 35.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.371 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.413 HG12 ' N ' ' C' ' 55' ' ' THR . 5.8 t -71.46 156.71 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.82 0.343 . . . . 0.0 111.283 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.413 ' N ' HG12 ' C' ' 54' ' ' VAL . 57.3 m -148.2 -68.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.985 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.423 ' O ' ' HA ' ' C' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.12 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . 0.418 ' HG3' HG23 ' A' ' 49' ' ' THR . 19.0 pt20 -91.66 124.7 36.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.145 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.439 ' CD1' ' CD2' ' C' ' 26' ' ' PHE . 43.8 m-85 -108.61 133.46 52.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.227 0.537 . . . . 0.0 112.067 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -106.53 126.39 52.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.596 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.486 HG12 HD12 ' D' ' 7' ' ' LEU . 18.3 t -141.78 129.92 21.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.601 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' C' ' 1' ' ' MET . 26.0 mt -95.55 123.19 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.358 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.809 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.1 mp -134.56 113.4 11.73 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -152.73 -63.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.994 0.426 . . . . 0.0 110.994 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . 0.45 ' N ' HG23 ' D' ' 21' ' ' VAL . . . 128.71 -62.9 0.63 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.433 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -90.16 125.14 35.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.79 0.329 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 2.1 m -137.79 31.92 2.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.51 37.7 25.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.244 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 mtmt -139.18 45.22 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.99 0.424 . . . . 0.0 110.773 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.68 -171.92 17.74 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -160.31 40.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.961 0.41 . . . . 0.0 110.731 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . 0.692 HG22 HG23 ' D' ' 17' ' ' THR . 43.9 m -66.76 121.72 16.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.158 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . 0.692 HG23 HG22 ' D' ' 16' ' ' THR . 16.5 p 54.76 179.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.414 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 4.9 t -70.31 165.02 23.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.062 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -68.52 132.32 46.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . 0.433 ' HB1' ' HB2' ' C' ' 37' ' ' ASN . . . -97.16 -35.55 10.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.255 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.58 HG12 ' HE2' ' C' ' 34' ' ' PHE . 3.4 m -93.59 84.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.604 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' D' ' 25' ' ' THR . 10.2 t70 -100.08 142.74 31.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.511 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.07 -44.5 31.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.512 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -28.49 67.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.346 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.6 ' O ' HG23 ' D' ' 29' ' ' VAL . 94.7 m -61.74 -40.61 95.69 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.061 0.458 . . . . 0.0 110.485 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.637 ' HB2' HD22 ' D' ' 7' ' ' LEU . 19.3 t80 -66.86 -49.22 66.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . 0.401 ' HA ' ' CZ2' ' D' ' 43' ' ' TRP . 51.7 mt-10 -56.04 -53.79 52.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.196 -179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -66.06 -49.48 67.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.686 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 61.6 t -62.56 -41.64 92.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.634 HG23 ' O ' ' D' ' 26' ' ' PHE . 67.7 t -71.26 -46.25 66.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -179.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 35.6 tttt -62.79 -45.63 91.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.37 . . . . 0.0 110.635 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -63.32 -45.93 89.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.183 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.683 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.9 t80 -67.61 -46.56 72.2 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 179.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.798 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 38.5 m-85 -74.87 -33.58 62.11 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -30.89 62.19 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.983 0.42 . . . . 0.0 110.881 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -61.81 -18.42 59.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.919 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.67 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.6 p30 -104.91 -20.58 13.51 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.81 14.97 1.8 Allowed Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.098 -1.048 . . . . 0.0 114.058 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.67 HG23 ' OD1' ' D' ' 37' ' ' ASN . 29.5 t -90.0 142.99 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 117.446 0.623 . . . . 0.0 110.88 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -155.14 -179.98 8.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.99 -144.66 17.97 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -148.8 156.13 41.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . 0.401 ' CZ2' ' HA ' ' D' ' 27' ' ' GLU . 94.1 m95 -73.34 118.9 16.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.024 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -111.5 139.93 46.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.717 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -71.75 141.05 49.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.508 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.49 160.08 33.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.667 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.56 136.93 56.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.63 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.9 138.4 43.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.053 0.454 . . . . 0.0 111.969 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . 0.411 HG23 ' HG3' ' A' ' 2' ' ' GLN . 47.6 m -126.85 156.54 41.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.42 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -124.99 115.96 21.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.385 . . . . 0.0 111.231 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 55.1 m -107.04 127.87 53.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.37 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -81.18 115.3 20.53 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.51 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 82.6 m -91.57 123.93 35.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.33 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.416 HG12 ' N ' ' D' ' 55' ' ' THR . 5.8 t -71.47 156.48 7.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.942 0.401 . . . . 0.0 111.268 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.416 ' N ' HG12 ' D' ' 54' ' ' VAL . 57.6 m -147.94 -68.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.96 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.729 0.299 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -89.4 122.61 32.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.468 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.44 ' HB3' ' CE2' ' B' ' 26' ' ' PHE . 41.4 m-85 -110.53 135.26 51.46 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.479 0.657 . . . . 0.0 112.375 -179.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.3 mttt -106.49 132.65 52.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.774 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.534 HG12 HD12 ' A' ' 7' ' ' LEU . 21.3 t -142.2 127.56 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.0 mt -98.58 125.19 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.478 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.777 HD11 ' CZ ' ' B' ' 34' ' ' PHE . 1.9 mp -134.36 115.02 13.56 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -92.0 111.51 23.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 111.119 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.56 52.16 1.34 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.539 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -164.89 148.68 8.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 m -113.49 141.14 47.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 mp -95.18 -35.36 11.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.756 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 mmtt -82.04 126.3 31.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.78 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.87 63.26 4.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.522 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -136.6 166.98 22.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.839 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 16' ' ' THR . 9.1 t -69.92 117.57 11.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -147.4 164.91 31.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.7 p -102.33 145.33 29.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.971 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -76.21 172.76 12.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.85 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.71 -77.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.196 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.443 HG12 ' CE2' ' B' ' 34' ' ' PHE . 12.1 m -84.27 68.85 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.345 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' A' ' 25' ' ' THR . 1.9 m-20 -102.17 145.59 29.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -49.42 -43.72 44.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.14 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.58 -29.46 68.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.347 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.634 ' O ' HG23 ' A' ' 29' ' ' VAL . 73.9 m -62.56 -39.95 95.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 30' ' ' VAL . 19.4 t80 -67.42 -43.69 80.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.722 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 43' ' ' TRP . 2.6 tt0 -58.53 -53.93 52.81 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.25 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -68.17 -46.72 69.95 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 -178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 25' ' ' THR . 60.5 t -63.36 -43.36 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 26' ' ' PHE . 48.5 t -72.12 -43.91 65.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -63.45 -46.48 86.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 110.79 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -64.18 -44.66 91.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.386 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.621 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 5.1 t80 -67.8 -47.68 68.41 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 40.8 m-85 -74.22 -32.81 63.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -30.42 63.75 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.104 0.478 . . . . 0.0 110.734 178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -61.54 -18.38 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.912 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.733 ' OD1' HG23 ' A' ' 39' ' ' VAL . 20.6 p30 -105.99 -21.74 13.07 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.45 13.92 1.81 Allowed Glycine 0 CA--C 1.521 0.406 0 C-N-CA 120.166 -1.016 . . . . 0.0 114.021 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.733 HG23 ' OD1' ' A' ' 37' ' ' ASN . 25.3 t -89.12 143.31 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 117.294 0.547 . . . . 0.0 110.83 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.85 -179.49 8.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.996 0.427 . . . . 0.0 111.245 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.98 -145.11 18.15 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.404 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -147.78 154.81 40.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.378 . . . . 0.0 111.034 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.459 ' CD1' ' HG3' ' A' ' 27' ' ' GLU . 89.8 m95 -74.05 118.68 17.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.182 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.0 p -110.38 141.51 43.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.527 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -70.22 141.16 52.55 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.479 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.28 160.95 31.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.009 -179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -65.67 127.45 31.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.565 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.55 144.05 27.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.794 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.4 m -140.77 156.35 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.287 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -121.81 123.73 42.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.019 0.437 . . . . 0.0 111.283 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -106.93 131.05 54.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.405 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -80.56 119.44 23.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.9 m -94.51 124.0 38.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.354 179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 55' ' ' THR . 6.1 t -70.98 156.04 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.424 . . . . 0.0 111.196 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.402 ' N ' HG12 ' A' ' 54' ' ' VAL . 42.6 m -149.54 -67.5 0.21 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.904 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.816 0.341 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -89.27 122.53 32.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.457 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.437 ' HB3' ' CE2' ' A' ' 26' ' ' PHE . 41.7 m-85 -110.35 135.2 51.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.483 0.658 . . . . 0.0 112.308 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -106.53 132.68 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.729 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.536 HG12 HD12 ' B' ' 7' ' ' LEU . 21.4 t -142.24 127.44 17.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 22.2 mt -98.43 125.25 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.366 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.78 HD11 ' CZ ' ' A' ' 34' ' ' PHE . 1.9 mp -134.34 114.79 13.34 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -91.78 107.61 19.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 111.056 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.99 58.03 0.89 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.596 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -159.78 78.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -142.04 152.12 43.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.681 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 mt -101.29 76.27 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -114.53 92.35 3.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.71 -135.8 3.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.638 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.447 ' O ' HG22 ' B' ' 16' ' ' THR . 23.9 mt-10 60.27 35.18 20.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.862 0.363 . . . . 0.0 110.82 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.447 HG22 ' O ' ' B' ' 15' ' ' GLU . 15.1 t 44.37 35.75 1.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.893 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 19.3 m -94.1 -47.3 6.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.628 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 20.4 p 54.31 -174.46 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.537 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 62.73 119.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.413 ' O ' ' CG2' ' B' ' 21' ' ' VAL . . . -172.29 58.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.439 HG12 ' HE2' ' A' ' 34' ' ' PHE . 5.2 m 44.43 72.98 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.469 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.46 ' O ' ' HB ' ' B' ' 25' ' ' THR . 2.0 m-20 -101.92 145.17 29.62 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.825 -179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.41 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -49.66 -43.89 47.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.126 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.27 -29.47 69.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.383 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.637 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.0 m -62.76 -39.82 95.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.822 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.654 ' O ' HG23 ' B' ' 30' ' ' VAL . 19.4 t80 -67.44 -43.9 80.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.723 179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' B' ' 43' ' ' TRP . 2.6 tt0 -58.32 -53.95 52.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.365 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -68.19 -46.72 69.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 25' ' ' THR . 60.0 t -63.34 -43.27 98.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 26' ' ' PHE . 48.9 t -72.18 -43.93 65.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -63.54 -46.35 86.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.022 0.439 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -64.21 -44.58 91.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.453 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.2 t80 -67.8 -47.72 68.29 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.777 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 40.7 m-85 -74.27 -32.74 63.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.85 -30.52 63.88 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.029 0.442 . . . . 0.0 110.694 178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -61.52 -18.42 59.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.898 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.73 ' OD1' HG23 ' B' ' 39' ' ' VAL . 20.6 p30 -105.92 -21.91 13.04 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.68 13.66 1.8 Allowed Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.142 -1.028 . . . . 0.0 113.975 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.73 HG23 ' OD1' ' B' ' 37' ' ' ASN . 25.2 t -88.96 143.35 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 117.331 0.565 . . . . 0.0 110.877 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -157.85 -179.34 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.074 0.464 . . . . 0.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.76 -144.9 18.14 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.403 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -147.97 154.7 40.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.918 0.39 . . . . 0.0 111.005 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.454 ' CD1' ' HG3' ' B' ' 27' ' ' GLU . 89.7 m95 -73.83 118.6 16.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.5 p -110.36 141.52 43.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.398 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -70.25 140.99 52.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.394 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.08 160.99 31.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -65.63 127.3 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.748 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.14 143.6 26.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.671 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 6.9 m -140.63 156.31 46.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.276 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -121.72 123.93 43.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.461 . . . . 0.0 111.359 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 54.6 m -107.13 130.99 54.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.409 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -80.57 119.44 23.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.377 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 87.6 m -94.52 124.03 38.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 55' ' ' THR . 6.2 t -70.86 156.13 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.941 0.4 . . . . 0.0 111.202 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.412 ' N ' HG12 ' B' ' 54' ' ' VAL . 43.2 m -149.66 -67.66 0.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.872 179.937 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.762 0.315 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -89.3 122.61 32.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.432 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.445 ' CD2' ' CD2' ' D' ' 26' ' ' PHE . 41.7 m-85 -110.46 135.28 51.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.389 0.614 . . . . 0.0 112.438 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -106.52 132.57 52.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . 0.531 HG12 HD12 ' C' ' 7' ' ' LEU . 21.3 t -142.21 127.51 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 22.6 mt -98.45 125.21 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.42 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.788 HD11 ' CZ ' ' D' ' 34' ' ' PHE . 1.9 mp -134.35 114.92 13.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -91.74 112.04 23.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 0.0 111.279 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.74 79.01 1.45 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.443 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -80.61 144.83 32.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . 0.544 ' O ' HG23 ' C' ' 11' ' ' THR . 11.1 t -159.2 107.99 1.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.707 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 53.1 mt -143.18 161.91 37.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.92 109.24 8.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.65 -48.16 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.301 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 60.12 35.83 21.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.738 0.304 . . . . 0.0 111.178 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 12.5 m -103.76 88.94 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.815 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 6.8 p 57.84 -176.61 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 22.1 p 54.39 81.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -176.0 102.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -175.72 -44.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.61 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.43 HG12 ' CE2' ' D' ' 34' ' ' PHE . 12.2 m -80.89 68.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.068 0.461 . . . . 0.0 111.326 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.448 ' O ' ' HB ' ' C' ' 25' ' ' THR . 1.9 m-20 -102.29 145.63 29.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.186 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.419 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -49.36 -43.78 44.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.031 179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.54 -29.54 68.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.302 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.636 ' O ' HG23 ' C' ' 29' ' ' VAL . 71.6 m -62.7 -39.87 95.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.65 ' O ' HG23 ' C' ' 30' ' ' VAL . 19.4 t80 -67.33 -43.85 80.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.804 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' C' ' 43' ' ' TRP . 2.6 tt0 -58.35 -53.96 52.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.347 -179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -68.22 -46.66 69.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 60.0 t -63.31 -43.31 98.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' C' ' 26' ' ' PHE . 48.7 t -72.13 -43.93 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.51 -46.37 86.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 110.802 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -64.34 -44.65 90.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.341 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.622 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.1 t80 -67.65 -47.72 68.74 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.776 ' CZ ' HD11 ' D' ' 7' ' ' LEU . 40.2 m-85 -74.37 -32.74 62.86 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.86 -30.48 63.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.05 0.452 . . . . 0.0 110.703 178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.58 -18.35 58.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.87 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.737 ' OD1' HG23 ' C' ' 39' ' ' VAL . 20.5 p30 -105.89 -21.95 13.04 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.54 13.91 1.8 Allowed Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.103 -1.046 . . . . 0.0 113.959 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.737 HG23 ' OD1' ' C' ' 37' ' ' ASN . 25.2 t -89.16 143.37 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 117.323 0.561 . . . . 0.0 110.794 179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.92 -179.43 8.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.029 0.442 . . . . 0.0 111.17 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.81 -145.14 18.2 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.407 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -147.8 154.73 40.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.895 0.379 . . . . 0.0 111.073 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . 0.453 ' CD1' ' HG3' ' C' ' 27' ' ' GLU . 89.7 m95 -73.81 118.64 17.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -110.44 141.48 43.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.451 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -70.19 141.07 52.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.484 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.25 161.01 31.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.989 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -65.8 127.48 32.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.53 143.77 28.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.764 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 6.7 m -140.57 156.37 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.23 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -121.74 123.89 42.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.45 . . . . 0.0 111.309 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 54.9 m -107.03 130.95 54.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.347 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -80.48 119.42 23.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.349 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 86.4 m -94.36 124.02 38.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.395 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.408 HG12 ' N ' ' C' ' 55' ' ' THR . 6.2 t -70.99 156.14 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.945 0.402 . . . . 0.0 111.2 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.408 ' N ' HG12 ' C' ' 54' ' ' VAL . 44.9 m -149.73 -67.53 0.21 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.88 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.804 0.335 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -89.29 122.52 32.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.494 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.431 ' HB3' ' CE2' ' C' ' 26' ' ' PHE . 41.4 m-85 -110.39 135.22 51.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.397 0.617 . . . . 0.0 112.32 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -106.57 132.63 52.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.9 -1.046 . . . . 0.0 110.705 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . 0.549 HG12 HD12 ' D' ' 7' ' ' LEU . 21.3 t -142.2 127.53 17.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 22.5 mt -98.46 125.21 51.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.345 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.776 HD11 ' CZ ' ' C' ' 34' ' ' PHE . 1.9 mp -134.34 114.71 13.25 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -93.25 112.12 23.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.707 0.289 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.97 43.94 1.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.664 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -119.66 154.5 33.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.935 0.397 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 2.5 m -125.11 90.0 3.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.663 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tp -98.35 153.54 18.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.152 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -64.08 105.53 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -165.62 -117.92 0.42 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -127.78 32.12 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 14.1 m -97.12 123.79 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.788 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 -51.9 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -99.63 175.22 5.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.113 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -167.37 92.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.803 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.53 -32.6 9.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.177 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.441 HG12 ' CE2' ' C' ' 34' ' ' PHE . 10.8 m -79.06 68.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.144 0.497 . . . . 0.0 110.822 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' D' ' 25' ' ' THR . 1.9 m-20 -102.02 145.51 29.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.143 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.415 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -49.36 -43.82 44.29 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.114 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.49 -29.46 68.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.382 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.636 ' O ' HG23 ' D' ' 29' ' ' VAL . 75.0 m -62.59 -40.03 95.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.65 ' O ' HG23 ' D' ' 30' ' ' VAL . 19.3 t80 -67.28 -43.8 80.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.723 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' D' ' 43' ' ' TRP . 2.6 tt0 -58.31 -53.98 52.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.294 -179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -68.32 -46.64 69.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.636 HG23 ' O ' ' D' ' 25' ' ' THR . 60.3 t -63.43 -43.29 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' D' ' 26' ' ' PHE . 48.6 t -72.19 -43.77 65.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -63.67 -46.28 86.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.959 0.409 . . . . 0.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -64.26 -44.58 91.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.433 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.642 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.2 t80 -67.83 -47.71 68.23 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.788 ' CZ ' HD11 ' C' ' 7' ' ' LEU . 40.5 m-85 -74.25 -32.75 63.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -30.34 63.91 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.011 0.434 . . . . 0.0 110.751 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.69 -18.28 58.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.946 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.735 ' OD1' HG23 ' D' ' 39' ' ' VAL . 20.5 p30 -105.88 -21.95 13.04 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.66 13.76 1.79 Allowed Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.134 -1.031 . . . . 0.0 113.936 179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.735 HG23 ' OD1' ' D' ' 37' ' ' ASN . 25.0 t -89.04 143.33 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.354 0.577 . . . . 0.0 110.861 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -157.81 -179.23 7.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 111.219 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.68 -145.05 18.21 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.374 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -147.88 154.68 40.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.94 0.4 . . . . 0.0 110.978 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . 0.461 ' CD1' ' HG3' ' D' ' 27' ' ' GLU . 89.7 m95 -73.86 118.68 17.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.198 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -110.35 141.53 43.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.412 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -70.21 141.15 52.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.511 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.17 160.94 31.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.993 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -65.67 127.33 31.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.609 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.36 144.0 26.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.775 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -140.85 156.27 46.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.284 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -121.68 123.89 42.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.004 0.43 . . . . 0.0 111.3 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 55.2 m -107.12 130.91 54.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.443 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -80.36 119.45 23.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.391 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.9 m -94.51 124.05 38.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.4 179.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.404 HG12 ' N ' ' D' ' 55' ' ' THR . 6.1 t -70.97 156.02 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 111.152 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.404 ' N ' HG12 ' D' ' 54' ' ' VAL . 43.1 m -149.5 -67.63 0.21 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.863 179.913 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.35 124.4 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.423 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.516 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 39.2 m-85 -108.96 125.84 52.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.22 0.533 . . . . 0.0 111.945 -179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -106.65 120.99 43.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.503 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.18 129.36 22.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.726 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.1 mt -92.69 117.13 35.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.886 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.66 HD11 ' CE1' ' B' ' 34' ' ' PHE . 5.5 tp -134.44 111.87 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.795 0.331 . . . . 0.0 111.013 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -154.59 -48.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.52 75.16 1.24 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.55 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -96.62 129.99 43.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.6 t -109.76 157.91 18.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.1 34.17 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp 63.16 122.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 145.2 -161.71 28.15 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.559 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -70.05 122.05 18.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.896 0.379 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -81.54 -48.99 11.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.818 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 18' ' ' THR . 11.7 m 67.92 -68.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.237 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.471 HG22 HG22 ' A' ' 17' ' ' THR . 1.8 t -169.4 132.62 1.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.953 0.406 . . . . 0.0 111.266 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -167.95 145.87 4.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.568 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -167.23 42.12 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.287 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 21' ' ' VAL . 10.8 m -93.05 83.51 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.935 0.398 . . . . 0.0 111.056 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 25' ' ' THR . 8.1 t70 -102.43 142.33 33.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.384 0.611 . . . . 0.0 111.672 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.52 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -53.51 -42.14 67.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.17 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.31 -32.17 73.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 29' ' ' VAL . 30.9 m -62.89 -36.26 82.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.118 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 30' ' ' VAL . 29.5 t80 -64.72 -47.22 79.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.789 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.98 -49.51 77.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.875 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.0 -49.91 63.87 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.652 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 62.3 t -63.93 -43.3 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 26' ' ' PHE . 61.0 t -69.76 -45.54 77.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.055 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -65.11 -44.83 87.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.016 0.436 . . . . 0.0 110.572 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -64.8 -43.67 92.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.424 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.645 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 4.7 t80 -67.23 -46.72 72.95 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.663 ' CE1' HD11 ' B' ' 7' ' ' LEU . 30.5 m-85 -78.33 -32.01 48.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 -179.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.81 -29.27 39.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 111.061 179.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -61.53 -17.34 54.42 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.961 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.501 ' OD1' HG23 ' A' ' 39' ' ' VAL . 10.4 p30 -103.69 -19.08 14.45 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.53 15.43 2.21 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 120.197 -1.001 . . . . 0.0 113.914 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.501 HG23 ' OD1' ' A' ' 37' ' ' ASN . 28.3 t -89.16 143.26 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 117.128 0.464 . . . . 0.0 110.873 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -154.54 -178.87 7.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.973 0.416 . . . . 0.0 111.169 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.31 -144.32 18.0 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.286 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.48 156.77 42.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -73.19 119.36 17.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.149 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -112.73 140.22 47.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.602 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -71.87 146.25 48.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.725 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.69 155.77 40.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.822 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -67.02 137.2 56.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.587 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.88 137.36 45.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.08 0.467 . . . . 0.0 111.767 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.3 m -132.29 156.49 46.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.579 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 147.21 41.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.937 0.399 . . . . 0.0 111.138 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 m -141.01 125.36 17.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.181 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.34 117.31 21.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.482 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.2 m -92.57 123.4 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.257 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.67 155.97 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 111.072 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.4 m -147.93 -70.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.918 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.81 0.338 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.34 124.45 33.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.43 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.52 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 39.2 m-85 -108.94 125.9 52.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.224 0.535 . . . . 0.0 111.967 -179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 20.2 mtpt -106.65 120.86 43.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.495 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.09 129.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.03 0.443 . . . . 0.0 111.629 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 33.7 mt -92.66 117.18 35.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.87 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.663 HD11 ' CE1' ' A' ' 34' ' ' PHE . 5.5 tp -134.53 111.81 10.38 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.371 . . . . 0.0 110.992 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -154.71 -47.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.034 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 77.38 70.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.331 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.08 88.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.74 0.305 . . . . 0.0 110.844 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -66.32 163.23 18.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tp -77.75 -32.9 52.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -143.98 124.76 14.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 129.12 -93.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 62.57 37.13 13.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.785 0.326 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 13.2 m -97.08 -48.08 5.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.801 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -75.45 148.55 38.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 33.1 p -87.75 156.12 19.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.042 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.26 177.62 9.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.665 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.18 25.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.746 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.46 ' O ' HG23 ' B' ' 21' ' ' VAL . 11.2 m -93.21 83.0 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 0.0 111.24 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.446 ' O ' ' HB ' ' B' ' 25' ' ' THR . 8.1 t70 -102.31 142.27 33.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.281 0.562 . . . . 0.0 111.73 -179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.516 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -53.57 -41.99 67.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.269 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.35 -32.2 73.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.511 ' O ' HG23 ' B' ' 29' ' ' VAL . 30.2 m -63.0 -36.1 82.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.126 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.609 ' O ' HG23 ' B' ' 30' ' ' VAL . 29.3 t80 -64.77 -47.27 78.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.768 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.97 -49.49 77.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.884 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.02 -49.86 63.93 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.645 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 63.1 t -64.06 -43.25 97.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 26' ' ' PHE . 61.5 t -69.84 -45.48 76.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.367 -0.378 . . . . 0.0 112.005 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -65.15 -44.82 87.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.997 0.427 . . . . 0.0 110.566 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -64.78 -43.6 92.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.541 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.652 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 4.7 t80 -67.29 -46.74 72.68 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.66 ' CE1' HD11 ' A' ' 7' ' ' LEU . 30.6 m-85 -78.24 -31.95 49.46 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -179.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -29.26 40.53 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.95 0.405 . . . . 0.0 111.07 179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -61.61 -17.33 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.93 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.5 ' OD1' HG23 ' B' ' 39' ' ' VAL . 10.4 p30 -103.72 -18.93 14.49 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.35 15.5 2.24 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.205 -0.998 . . . . 0.0 113.903 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.5 HG23 ' OD1' ' B' ' 37' ' ' ASN . 28.7 t -89.11 143.21 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 117.169 0.485 . . . . 0.0 110.892 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -154.63 -178.95 7.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.402 . . . . 0.0 111.22 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.42 -144.36 17.99 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.239 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -149.43 156.71 42.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -73.1 119.39 17.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -112.74 140.23 47.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.611 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -71.88 146.3 47.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.721 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.76 155.72 40.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -66.94 137.1 56.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.629 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.73 137.3 44.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.014 0.435 . . . . 0.0 111.798 -179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 18.1 m -132.29 156.46 46.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.673 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.78 147.39 41.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.971 0.415 . . . . 0.0 111.133 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 42.3 m -141.1 125.35 17.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.201 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.34 117.32 21.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.507 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 86.1 m -92.47 123.34 35.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.341 179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.404 HG12 ' N ' ' B' ' 55' ' ' THR . 5.3 t -70.68 156.19 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 111.047 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.404 ' N ' HG12 ' B' ' 54' ' ' VAL . 69.5 m -148.1 -69.95 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.936 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.781 0.325 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.3 124.46 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.34 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.498 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 39.1 m-85 -109.07 125.85 52.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.361 0.601 . . . . 0.0 111.965 -179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 20.1 mtpt -106.67 120.86 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.51 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.07 129.38 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.647 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 34.3 mt -92.78 117.19 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.831 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.65 HD11 ' CE1' ' D' ' 34' ' ' PHE . 5.5 tp -134.5 111.77 10.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.015 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -153.7 -46.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.76 40.66 2.66 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.684 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 12.1 pttm -174.83 120.88 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 111.057 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 17.5 p -134.41 107.33 7.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.738 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 61.53 104.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.783 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 26.3 tttp 62.53 149.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.93 -173.95 42.94 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -133.51 -179.83 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . 0.45 HG23 ' O ' ' C' ' 16' ' ' THR . 4.2 t -79.57 82.85 5.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.07 157.81 35.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 67.0 p -105.51 143.34 33.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.716 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -110.97 -178.02 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.258 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' D' ' 37' ' ' ASN . . . -74.7 -32.44 62.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.631 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.458 HG23 ' O ' ' C' ' 21' ' ' VAL . 10.8 m -88.26 82.26 2.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.006 0.431 . . . . 0.0 110.779 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.442 ' O ' ' HB ' ' C' ' 25' ' ' THR . 8.1 t70 -102.36 142.13 34.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.587 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.503 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -53.34 -42.05 66.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.161 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.21 73.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.503 ' O ' HG23 ' C' ' 29' ' ' VAL . 32.1 m -62.9 -36.25 82.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.122 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.61 ' O ' HG23 ' C' ' 30' ' ' VAL . 29.0 t80 -64.64 -47.31 79.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.861 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -58.93 -49.49 77.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.878 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -67.07 -49.82 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 63.2 t -64.04 -43.33 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.61 HG23 ' O ' ' C' ' 26' ' ' PHE . 60.7 t -69.76 -45.46 77.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.055 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . 0.406 ' O ' ' ND2' ' C' ' 35' ' ' ASN . 76.8 tttt -65.17 -44.86 87.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.01 0.433 . . . . 0.0 110.517 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -64.7 -43.6 92.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.594 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 4.7 t80 -67.34 -46.77 72.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.655 ' CE1' HD11 ' D' ' 7' ' ' LEU . 30.4 m-85 -78.25 -31.92 49.41 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' C' ' 31' ' ' LYS . 0.9 OUTLIER -53.88 -29.25 40.76 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.113 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -61.53 -17.37 54.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.899 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.502 ' OD1' HG23 ' C' ' 39' ' ' VAL . 10.4 p30 -103.72 -18.91 14.5 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.41 15.5 2.23 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.913 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.502 HG23 ' OD1' ' C' ' 37' ' ' ASN . 28.5 t -89.15 143.14 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 117.142 0.471 . . . . 0.0 110.841 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -154.59 -178.79 7.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.944 0.402 . . . . 0.0 111.186 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.25 -144.37 18.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.216 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.47 156.65 42.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.381 . . . . 0.0 111.095 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -73.09 119.37 17.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.161 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 80.7 p -112.7 140.1 47.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.582 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.84 146.34 48.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.708 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.81 155.75 40.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.96 137.14 56.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.626 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 137.2 45.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.801 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -132.2 156.49 46.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.583 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.93 147.34 41.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.025 0.44 . . . . 0.0 111.085 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 41.5 m -141.15 125.35 17.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.152 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -81.26 117.37 21.71 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.552 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 87.4 m -92.55 123.37 35.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.221 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.4 HG12 ' N ' ' C' ' 55' ' ' THR . 5.3 t -70.62 156.23 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.151 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.4 ' N ' HG12 ' C' ' 54' ' ' VAL . 67.4 m -148.13 -70.02 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.295 -0.86 . . . . 0.0 110.885 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.293 0 CA-C-O 120.807 0.337 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -87.33 124.43 33.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.39 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.503 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 38.9 m-85 -108.99 125.9 52.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.227 0.537 . . . . 0.0 111.96 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -106.69 120.98 43.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.508 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.15 129.32 23.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.021 0.438 . . . . 0.0 111.684 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 33.3 mt -92.66 117.22 35.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.965 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.655 HD11 ' CE1' ' C' ' 34' ' ' PHE . 5.5 tp -134.5 111.83 10.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.811 0.339 . . . . 0.0 111.031 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -154.29 -48.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.44 168.41 36.5 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.591 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.51 146.05 26.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.367 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 1.4 m 62.27 148.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -93.39 -53.09 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -104.95 111.1 23.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.783 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 163.93 -176.58 39.94 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.398 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -140.23 83.81 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 33.1 m -104.7 121.4 43.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.767 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -65.74 -58.12 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 3.2 t -65.42 126.32 27.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.157 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -121.82 -177.19 3.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.684 179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.34 -49.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.37 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.461 ' O ' HG23 ' D' ' 21' ' ' VAL . 8.6 m -90.79 84.03 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.665 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' D' ' 25' ' ' THR . 7.9 t70 -102.41 142.19 34.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.386 0.612 . . . . 0.0 111.76 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.498 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -53.54 -42.02 67.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.172 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.32 -32.29 73.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.507 ' O ' HG23 ' D' ' 29' ' ' VAL . 32.7 m -62.79 -36.23 82.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.191 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.616 ' O ' HG23 ' D' ' 30' ' ' VAL . 29.3 t80 -64.77 -47.19 79.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.793 179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.03 -49.5 77.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.811 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 ttmm -66.97 -49.95 63.82 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.627 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 62.5 t -63.9 -43.35 97.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.616 HG23 ' O ' ' D' ' 26' ' ' PHE . 60.9 t -69.74 -45.61 77.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.022 -178.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . 0.407 ' O ' ' ND2' ' D' ' 35' ' ' ASN . 76.8 tttt -65.11 -44.87 87.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.921 0.391 . . . . 0.0 110.493 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -64.69 -43.64 92.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.516 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.627 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 4.7 t80 -67.36 -46.64 72.74 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.65 ' CE1' HD11 ' C' ' 7' ' ' LEU . 30.4 m-85 -78.33 -31.94 48.95 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' D' ' 31' ' ' LYS . 0.9 OUTLIER -53.84 -29.25 40.2 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 179.074 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -61.54 -17.26 54.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.991 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.49 ' OD1' HG23 ' D' ' 39' ' ' VAL . 10.4 p30 -103.83 -18.93 14.45 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 128.41 15.51 2.22 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.241 -0.981 . . . . 0.0 113.914 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.49 HG23 ' OD1' ' D' ' 37' ' ' ASN . 28.6 t -89.19 143.14 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 117.205 0.502 . . . . 0.0 110.873 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -154.52 -178.77 7.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.961 0.41 . . . . 0.0 111.199 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.25 -144.4 18.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.304 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -149.41 156.65 42.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 111.096 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -73.09 119.38 17.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 81.0 p -112.68 140.13 47.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.61 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -71.8 146.32 48.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.71 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.83 155.75 40.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -66.98 137.2 56.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.616 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.78 137.09 45.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.782 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 18.4 m -132.13 156.41 46.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.89 147.29 41.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.964 0.412 . . . . 0.0 111.145 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 42.9 m -141.09 125.4 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.156 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -81.32 117.36 21.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.478 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -92.6 123.42 35.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.252 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.403 HG12 ' N ' ' D' ' 55' ' ' THR . 5.3 t -70.73 156.11 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 111.029 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.403 ' N ' HG12 ' D' ' 54' ' ' VAL . 63.5 m -147.99 -70.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.984 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mmm . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.983 0.42 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.68 ' HG3' HG23 ' D' ' 49' ' ' THR . 9.8 pt20 -95.6 127.42 41.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.482 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.508 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 36.0 m-85 -107.93 130.99 54.99 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.273 0.559 . . . . 0.0 112.339 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -107.18 124.26 49.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.855 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.23 125.49 14.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.304 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 mt -95.9 117.17 39.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.523 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.435 HD22 ' HB2' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -102.98 125.47 49.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.961 179.081 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -156.21 113.82 3.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.149 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.29 44.61 2.46 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.863 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mttp 60.55 172.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.399 . . . . 0.0 111.294 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -94.16 179.17 5.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.021 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.498 ' H ' HG22 ' A' ' 11' ' ' THR . 0.5 OUTLIER -68.89 -30.0 68.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.077 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -92.39 117.22 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.182 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 151.5 -106.91 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 16' ' ' THR . 29.3 mt-10 -138.4 142.18 39.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 111.003 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 15' ' ' GLU . 14.6 t 46.19 -173.04 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.975 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 16' ' ' THR . 0.9 OUTLIER -158.05 -179.5 8.19 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.369 -179.578 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' A' ' 19' ' ' GLU . 2.8 p 67.78 -63.82 0.3 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.245 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' N ' ' OG1' ' A' ' 18' ' ' THR . 2.1 mm-40 58.69 177.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.339 . . . . 0.0 111.185 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.45 -35.59 9.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.36 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 21' ' ' VAL . 8.5 p -75.87 66.08 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.382 0.611 . . . . 0.0 110.618 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' A' ' 25' ' ' THR . 5.8 m-20 -102.8 147.63 26.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.278 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.505 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -52.47 -43.04 64.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.148 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.33 74.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.999 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.633 ' O ' HG23 ' A' ' 29' ' ' VAL . 17.2 m -62.72 -38.95 92.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.212 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 30' ' ' VAL . 72.5 t80 -64.19 -51.39 63.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.852 179.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HA ' ' CZ2' ' A' ' 43' ' ' TRP . 59.1 mt-10 -55.62 -49.39 72.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.842 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -67.65 -48.79 65.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 25' ' ' THR . 59.5 t -64.38 -43.48 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.1 t -68.4 -43.84 83.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.67 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -65.87 -44.68 84.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.897 0.379 . . . . 0.0 110.787 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.23 -41.6 94.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.324 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.497 ' HZ ' HG22 ' B' ' 25' ' ' THR . 3.8 t80 -68.46 -48.88 63.36 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' HB3' HG21 ' A' ' 39' ' ' VAL . 26.6 m-85 -77.55 -30.76 52.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.2 -28.1 50.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.949 0.404 . . . . 0.0 111.043 178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -61.11 -17.33 52.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.066 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.44 ' OD1' HG23 ' A' ' 39' ' ' VAL . 12.3 p30 -104.47 -15.75 15.28 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.61 16.62 2.48 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.641 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG21 ' HB3' ' A' ' 34' ' ' PHE . 20.5 t -89.4 143.2 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 117.084 0.442 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -155.81 -178.93 7.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.23 -144.29 18.01 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.318 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -150.34 157.38 43.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.945 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CZ2' ' HA ' ' A' ' 27' ' ' GLU . 96.5 m95 -74.05 116.14 14.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.103 0.478 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 48.0 p -109.71 140.97 42.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.64 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -71.6 142.52 49.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.776 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 160.04 33.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.907 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.71 134.76 52.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.62 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.28 139.75 41.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.088 0.47 . . . . 0.0 111.874 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.653 HG23 ' HG3' ' D' ' 2' ' ' GLN . 11.2 m -130.01 156.42 44.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.692 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mttt -125.45 119.79 29.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.975 0.417 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.9 m -109.97 130.79 55.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.453 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -80.63 115.05 19.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.383 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -89.69 123.17 33.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.352 179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.34 155.05 7.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 111.101 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 m -147.1 -69.37 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.895 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.925 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.0 mmm . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.925 0.393 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.649 ' HG3' HG23 ' C' ' 49' ' ' THR . 9.9 pt20 -95.59 127.63 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.402 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.505 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 36.4 m-85 -108.13 130.81 55.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.249 0.547 . . . . 0.0 112.435 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -107.01 124.09 49.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.957 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -142.18 125.32 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 mt -95.71 117.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.6 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' B' ' 26' ' ' PHE . 0.2 OUTLIER -103.11 125.61 49.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.915 179.155 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -155.99 113.91 3.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.876 0.37 . . . . 0.0 111.456 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.27 -31.69 81.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt 59.04 101.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.34 104.55 7.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.601 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.87 32.63 2.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.287 -179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 pttt -173.71 152.81 2.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.05 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.88 153.59 52.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.853 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 57.79 87.83 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 111.269 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 32.4 m -111.63 -64.23 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.679 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.516 ' O ' HG22 ' B' ' 18' ' ' THR . 27.4 p 52.34 -169.23 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.553 179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.516 HG22 ' O ' ' B' ' 17' ' ' THR . 14.8 t 47.19 -174.8 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.007 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.428 ' HG3' HG23 ' B' ' 18' ' ' THR . 21.3 mt-10 59.73 163.48 0.05 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.024 -179.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.467 ' O ' HG21 ' B' ' 25' ' ' THR . . . -159.7 25.73 0.18 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.873 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.502 ' O ' HG13 ' B' ' 21' ' ' VAL . 8.5 p -79.49 65.61 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.265 0.555 . . . . 0.0 110.43 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.419 ' O ' ' HB ' ' B' ' 25' ' ' THR . 5.3 m-20 -102.77 147.66 26.57 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.166 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.508 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -52.28 -43.15 64.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.149 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.58 -33.47 75.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.639 ' O ' HG23 ' B' ' 29' ' ' VAL . 17.4 m -62.69 -39.02 92.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.205 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.647 ' O ' HG23 ' B' ' 30' ' ' VAL . 72.8 t80 -64.23 -51.12 65.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.836 179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.403 ' HA ' ' CZ2' ' B' ' 43' ' ' TRP . 60.0 mt-10 -55.92 -49.25 73.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.824 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -67.74 -48.69 65.73 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 25' ' ' THR . 59.9 t -64.51 -43.35 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.647 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.7 t -68.55 -43.63 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.615 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -65.92 -44.8 84.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.944 0.402 . . . . 0.0 110.748 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -65.19 -41.44 94.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.4 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.498 ' HZ ' HG22 ' A' ' 25' ' ' THR . 3.8 t80 -68.57 -48.91 63.01 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 113.237 0.828 . . . . 0.0 113.237 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.519 ' HB3' HG21 ' B' ' 39' ' ' VAL . 26.9 m-85 -77.54 -30.68 52.91 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.23 -28.24 51.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.967 0.413 . . . . 0.0 111.062 178.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -60.93 -17.42 51.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.142 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.437 ' OD1' HG23 ' B' ' 39' ' ' VAL . 12.2 p30 -104.59 -15.66 15.24 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.54 16.75 2.48 Favored Glycine 0 CA--C 1.521 0.435 0 C-N-CA 120.348 -0.929 . . . . 0.0 113.616 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.519 HG21 ' HB3' ' B' ' 34' ' ' PHE . 20.6 t -89.55 143.22 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 117.12 0.46 . . . . 0.0 111.14 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.73 -178.55 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.95 -144.47 18.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.207 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -150.35 157.38 42.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.811 0.339 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.403 ' CZ2' ' HA ' ' B' ' 27' ' ' GLU . 96.6 m95 -74.1 116.24 14.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.173 0.511 . . . . 0.0 111.107 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 49.3 p -109.91 140.97 43.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.574 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -71.51 142.5 50.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.792 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.22 159.79 33.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.974 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.37 134.22 52.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.584 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.79 139.84 38.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.007 0.432 . . . . 0.0 111.91 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.644 HG23 ' HG3' ' C' ' 2' ' ' GLN . 11.1 m -130.19 156.52 44.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.851 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -125.45 119.86 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 29.4 m -110.02 130.81 55.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.525 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -80.7 115.07 20.01 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.338 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 85.2 m -89.62 123.24 33.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.437 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.34 155.25 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.925 0.393 . . . . 0.0 111.065 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.5 m -147.34 -69.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.895 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.981 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmm . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.974 0.416 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.644 ' HG3' HG23 ' B' ' 49' ' ' THR . 9.8 pt20 -95.68 127.55 41.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.438 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.552 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 36.3 m-85 -108.02 130.89 55.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.31 0.576 . . . . 0.0 112.314 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -107.04 124.01 49.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.05 125.38 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.269 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 37.0 mt -95.84 117.16 39.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.491 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' C' ' 26' ' ' PHE . 0.2 OUTLIER -103.02 125.37 49.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.078 179.079 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -155.05 108.14 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.708 0.29 . . . . 0.0 111.057 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.99 75.98 2.26 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.206 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -72.76 151.06 42.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 111.229 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 6.0 p -90.39 101.89 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.556 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mt -91.47 160.48 15.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.061 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -102.59 119.58 39.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 173.42 -72.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.394 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -169.51 36.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 4.8 t -67.99 133.5 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.33 -43.84 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 49.8 p -137.68 178.29 7.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -102.01 172.87 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . 0.575 ' O ' HG21 ' C' ' 25' ' ' THR . . . -151.55 -49.39 0.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.931 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.498 ' O ' HG13 ' C' ' 21' ' ' VAL . 11.1 p -85.92 65.21 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.355 0.598 . . . . 0.0 111.452 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' C' ' 25' ' ' THR . 5.1 m-20 -102.86 147.74 26.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.987 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.53 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -52.43 -43.2 64.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.177 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.59 -33.22 74.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.635 ' O ' HG23 ' C' ' 29' ' ' VAL . 16.9 m -62.92 -38.95 93.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.195 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.653 ' O ' HG23 ' C' ' 30' ' ' VAL . 73.0 t80 -64.25 -51.1 65.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.791 179.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -55.8 -49.4 73.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.829 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -67.73 -48.53 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.635 HG23 ' O ' ' C' ' 25' ' ' THR . 58.7 t -64.46 -43.5 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.653 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.6 t -68.49 -43.62 83.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.658 -178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -66.06 -44.68 83.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.766 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -65.25 -41.4 94.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.315 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.532 ' HZ ' HG22 ' D' ' 25' ' ' THR . 3.8 t80 -68.54 -49.09 62.18 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.512 ' HB3' HG21 ' C' ' 39' ' ' VAL . 26.8 m-85 -77.44 -30.82 53.55 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -28.19 51.16 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 122.019 -0.426 . . . . 0.0 111.031 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.91 -17.52 51.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.105 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.437 ' OD1' HG23 ' C' ' 39' ' ' VAL . 12.3 p30 -104.58 -15.45 15.31 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.43 16.62 2.52 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.298 -0.954 . . . . 0.0 113.667 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' C' ' 34' ' ' PHE . 21.1 t -89.48 143.11 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 117.086 0.443 . . . . 0.0 111.045 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -155.8 -179.39 8.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.73 -144.17 17.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.209 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -150.48 157.48 43.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -74.18 116.22 14.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 49.9 p -109.9 140.97 43.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.551 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -71.69 142.44 49.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.745 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.2 160.0 33.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.88 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.67 134.54 52.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.482 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.23 140.19 39.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.961 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . 0.649 HG23 ' HG3' ' B' ' 2' ' ' GLN . 10.3 m -130.36 156.53 44.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.67 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -125.51 119.66 28.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.402 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 29.0 m -109.87 130.67 55.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.381 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -80.69 115.23 20.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.401 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 85.8 m -89.82 123.28 33.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.408 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.41 155.19 7.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 65.5 m -147.34 -69.26 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.873 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.888 179.858 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 15.6 mmm . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.905 0.384 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . 0.653 ' HG3' HG23 ' A' ' 49' ' ' THR . 9.6 pt20 -95.76 127.35 41.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.51 179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.53 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 36.6 m-85 -107.93 130.85 55.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.219 0.533 . . . . 0.0 112.336 -179.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -107.04 124.11 49.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.911 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -142.09 125.48 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.239 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 36.6 mt -95.9 117.15 39.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.584 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.461 ' HG ' HG23 ' D' ' 21' ' ' VAL . 0.2 OUTLIER -103.08 125.74 49.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.983 179.131 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -156.4 110.91 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 0.0 111.276 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.8 100.79 2.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.194 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 16.7 mttm 60.96 106.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.778 0.323 . . . . 0.0 110.587 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -63.49 123.38 18.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.217 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tp 60.71 66.6 0.9 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.151 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -176.63 97.79 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.892 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -101.22 85.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.416 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -127.58 142.92 51.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.935 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . 0.509 ' O ' HG23 ' D' ' 16' ' ' THR . 8.5 t -61.93 107.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 50.5 p -123.54 178.77 5.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.31 102.26 11.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 57.55 101.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -151.47 56.24 0.87 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.489 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.461 HG23 ' HG ' ' D' ' 7' ' ' LEU . 6.4 p 42.97 72.15 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.753 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.432 ' O ' ' HB ' ' D' ' 25' ' ' THR . 5.6 m-20 -102.6 146.99 27.35 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 115.433 -0.803 . . . . 0.0 112.018 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.552 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -52.57 -43.38 65.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.179 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.4 75.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.63 ' O ' HG23 ' D' ' 29' ' ' VAL . 17.1 m -62.8 -38.82 92.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.202 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.658 ' O ' HG23 ' D' ' 30' ' ' VAL . 72.9 t80 -64.34 -51.23 64.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.877 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -55.63 -49.4 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.867 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -67.78 -48.67 65.71 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.63 HG23 ' O ' ' D' ' 25' ' ' THR . 60.1 t -64.32 -43.42 97.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.658 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.0 t -68.48 -43.88 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.59 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -65.86 -44.77 84.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.915 0.388 . . . . 0.0 110.728 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -65.2 -41.37 94.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.333 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.539 ' HZ ' HG22 ' C' ' 25' ' ' THR . 3.8 t80 -68.53 -48.93 63.06 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.51 ' HB3' HG21 ' D' ' 39' ' ' VAL . 26.9 m-85 -77.58 -30.87 52.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.07 -28.18 50.41 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.978 0.418 . . . . 0.0 111.101 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -60.98 -17.42 51.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.059 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.441 ' OD1' HG23 ' D' ' 39' ' ' VAL . 12.2 p30 -104.61 -15.66 15.23 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.58 16.56 2.5 Favored Glycine 0 CA--C 1.522 0.473 0 C-N-CA 120.289 -0.957 . . . . 0.0 113.591 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.51 HG21 ' HB3' ' D' ' 34' ' ' PHE . 20.6 t -89.32 143.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 117.07 0.435 . . . . 0.0 111.124 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -155.87 -179.11 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.195 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 118.41 -144.34 17.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.21 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -150.3 157.27 42.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.787 0.327 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -74.0 116.26 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.098 0.475 . . . . 0.0 111.026 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -109.9 141.17 43.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.563 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -71.77 142.59 49.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.807 179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.31 159.98 33.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.866 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.44 134.22 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.55 139.26 38.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.017 0.437 . . . . 0.0 111.848 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . 0.68 HG23 ' HG3' ' A' ' 2' ' ' GLN . 10.6 m -129.8 156.54 44.17 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.729 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -125.7 119.57 28.35 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.931 0.396 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 28.9 m -109.82 130.76 55.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.69 115.29 20.12 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.413 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 85.1 m -89.78 123.39 33.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.399 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.54 155.2 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.886 0.374 . . . . 0.0 111.085 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 67.0 m -147.26 -69.25 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.775 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.009 179.971 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.896 0.379 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -89.94 123.71 34.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.543 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.662 ' OH ' ' HB1' ' B' ' 23' ' ' ALA . 37.5 m-85 -110.3 132.35 54.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.457 0.646 . . . . 0.0 112.192 -179.56 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -106.4 126.19 51.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.758 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.25 121.64 9.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.05 117.16 38.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.68 -179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.439 ' HA ' HG11 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -105.18 124.18 49.1 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -153.38 -64.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.026 0.441 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.58 -41.69 1.41 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.593 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt 59.67 105.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.843 0.354 . . . . 0.0 110.653 -179.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.8 p -80.53 159.63 25.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.303 -179.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -115.07 -176.18 2.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.695 179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -98.24 42.17 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.879 0.371 . . . . 0.0 111.164 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -133.01 -84.84 0.25 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.476 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -175.4 108.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.869 0.366 . . . . 0.0 110.81 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.0 m -103.73 -60.41 1.57 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 m 67.36 -69.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.179 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -67.25 174.23 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 111.016 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pm0 -107.81 154.86 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.88 -67.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.865 179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 7' ' ' LEU . 19.1 t -98.35 92.37 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.851 179.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' O ' ' HB ' ' A' ' 25' ' ' THR . 14.9 t70 -101.73 137.89 39.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.124 -178.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB1' ' OH ' ' B' ' 3' ' ' TYR . . . -47.08 -41.68 17.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.278 179.522 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.79 -27.54 66.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.242 179.61 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.642 ' O ' HG23 ' A' ' 29' ' ' VAL . 38.2 m -61.25 -38.23 85.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.425 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.713 ' O ' HG23 ' A' ' 30' ' ' VAL . 30.8 t80 -69.43 -49.47 54.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.753 178.639 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -53.37 -52.29 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.953 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -66.15 -48.9 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -178.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.723 HG21 ' CZ ' ' B' ' 33' ' ' PHE . 66.2 t -62.55 -41.08 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 26' ' ' PHE . 58.5 t -70.26 -45.46 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -179.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -63.65 -45.56 89.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.022 0.439 . . . . 0.0 110.403 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.06 -46.74 86.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.153 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.724 ' CZ ' HG21 ' B' ' 29' ' ' VAL . 5.0 t80 -67.44 -46.39 73.25 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 179.625 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.529 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 35.1 m-85 -74.53 -33.05 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.62 -31.1 61.99 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.846 178.503 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -61.9 -18.57 60.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.059 179.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.712 ' OD1' HG23 ' A' ' 39' ' ' VAL . 19.7 p30 -105.46 -21.46 13.21 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.379 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.57 14.93 1.85 Allowed Glycine 0 CA--C 1.521 0.464 0 C-N-CA 120.071 -1.062 . . . . 0.0 114.099 179.131 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.712 HG23 ' OD1' ' A' ' 37' ' ' ASN . 26.1 t -89.68 143.17 11.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 117.333 0.566 . . . . 0.0 110.854 179.556 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -155.08 -177.52 6.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.911 0.386 . . . . 0.0 111.087 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.58 -145.08 18.5 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.341 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -149.07 156.39 42.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.343 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -72.76 117.76 14.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.459 . . . . 0.0 111.239 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.3 p -110.26 139.67 45.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.436 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -70.24 142.84 52.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.861 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.84 158.27 36.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.63 130.3 42.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.494 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 142.22 29.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.823 -179.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.57 156.41 46.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.504 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -127.64 124.03 37.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.105 0.479 . . . . 0.0 111.436 -179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.74 134.19 50.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.207 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -80.87 118.04 22.03 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.542 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.5 m -91.88 121.32 33.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.341 179.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.408 HG12 ' N ' ' A' ' 55' ' ' THR . 6.5 t -70.93 156.7 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 111.033 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.408 ' N ' HG12 ' A' ' 54' ' ' VAL . 90.6 m -148.17 -72.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.021 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.926 0.393 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.03 123.73 34.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.608 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.683 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 37.6 m-85 -110.27 132.27 54.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.419 0.628 . . . . 0.0 112.102 -179.382 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -106.39 126.17 51.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.799 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.26 121.63 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 28.2 mt -95.22 117.18 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.679 -179.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' B' ' 26' ' ' PHE . 0.4 OUTLIER -104.96 124.08 48.89 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 178.945 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -154.27 -70.83 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.066 0.46 . . . . 0.0 111.172 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.42 -31.02 3.7 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.427 -179.77 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt 62.09 118.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -141.51 145.07 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 8.5 tt -167.96 -43.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -168.28 59.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.795 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.69 123.03 1.71 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.529 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.12 142.03 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 2.3 t -63.66 134.75 55.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.3 m -139.78 -55.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 9.6 t -161.34 45.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -137.69 114.9 10.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.702 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -150.4 83.34 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.419 -179.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.44 HG11 ' HA ' ' B' ' 7' ' ' LEU . 18.2 t -94.52 90.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.991 0.424 . . . . 0.0 110.549 179.228 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.539 ' O ' ' HB ' ' B' ' 25' ' ' THR . 15.1 t70 -101.66 137.91 39.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.973 -178.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.662 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -47.0 -41.64 16.71 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.164 179.471 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.86 -27.59 66.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.29 179.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.651 ' O ' HG23 ' B' ' 29' ' ' VAL . 37.4 m -61.19 -38.26 85.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.358 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . 0.721 ' O ' HG23 ' B' ' 30' ' ' VAL . 31.2 t80 -69.43 -49.55 54.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.742 178.677 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.33 -52.28 59.69 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.996 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -66.04 -49.01 69.16 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -178.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.724 HG21 ' CZ ' ' A' ' 33' ' ' PHE . 67.5 t -62.56 -41.1 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.721 HG23 ' O ' ' B' ' 26' ' ' PHE . 58.5 t -70.27 -45.57 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -179.256 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.404 ' O ' ' ND2' ' B' ' 35' ' ' ASN . 67.3 tttt -63.54 -45.61 89.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.057 0.456 . . . . 0.0 110.42 179.578 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -63.0 -46.8 85.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.15 179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.723 ' CZ ' HG21 ' A' ' 29' ' ' VAL . 5.0 t80 -67.42 -46.32 73.51 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 179.644 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.525 ' CE1' ' CE2' ' B' ' 33' ' ' PHE . 34.6 m-85 -74.68 -33.04 62.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' B' ' 31' ' ' LYS . 0.9 OUTLIER -55.68 -30.98 61.99 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.819 178.587 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -61.97 -18.49 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.016 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.712 ' OD1' HG23 ' B' ' 39' ' ' VAL . 19.7 p30 -105.47 -21.55 13.19 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.59 14.99 1.84 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.056 -1.069 . . . . 0.0 114.032 179.111 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.712 HG23 ' OD1' ' B' ' 37' ' ' ASN . 27.0 t -89.66 143.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 117.372 0.586 . . . . 0.0 110.793 179.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -155.18 -177.67 6.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.71 -145.0 18.46 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.257 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -149.06 156.48 42.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.374 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -72.8 117.72 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.209 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 80.0 p -110.29 139.64 45.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.457 179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -70.27 142.77 52.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.85 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.83 158.34 36.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.807 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.57 130.39 43.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.551 179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.96 142.19 30.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.013 0.435 . . . . 0.0 111.828 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.38 156.3 47.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.488 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -127.58 123.93 36.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.108 0.48 . . . . 0.0 111.391 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 24.2 m -106.67 134.17 50.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.181 179.671 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -81.03 118.08 22.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 111.46 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 94.2 m -91.68 121.37 33.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.309 179.119 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.419 HG12 ' N ' ' B' ' 55' ' ' THR . 6.6 t -71.19 156.82 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.997 -179.77 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.419 ' N ' HG12 ' B' ' 54' ' ' VAL . 90.9 m -148.27 -72.24 0.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.967 179.991 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.861 0.362 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.04 123.74 34.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.51 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.683 ' OH ' ' HB1' ' D' ' 23' ' ' ALA . 37.7 m-85 -110.22 132.29 54.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.421 0.629 . . . . 0.0 112.169 -179.478 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -106.4 126.27 52.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.746 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.3 121.68 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 28.0 mt -95.2 117.24 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.655 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' C' ' 26' ' ' PHE . 0.4 OUTLIER -105.08 124.2 49.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.841 178.875 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -154.07 -66.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.069 0.461 . . . . 0.0 110.951 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 68.72 -129.2 24.5 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.446 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 47.5 mttt 60.34 168.52 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.842 0.354 . . . . 0.0 110.981 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 37.2 p -96.01 145.7 25.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.508 HD22 ' N ' ' C' ' 12' ' ' LEU . 3.6 mm? -92.06 -70.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -137.84 93.06 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.38 -130.26 10.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.681 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 62.59 147.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 111.063 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 9.5 t -106.86 30.55 6.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.74 174.38 2.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.688 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 75.9 p -132.0 40.88 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.018 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -60.92 160.81 9.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -169.9 57.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' C' ' 7' ' ' LEU . 20.7 t -95.91 92.68 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.686 179.608 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 22' ' ' ASP . . . . . 0.542 ' O ' ' HB ' ' C' ' 25' ' ' THR . 15.0 t70 -101.71 137.84 39.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.355 0.598 . . . . 0.0 112.148 -178.781 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 23' ' ' ALA . . . . . 0.669 ' HB1' ' OH ' ' D' ' 3' ' ' TYR . . . -47.02 -41.77 17.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.253 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.76 -27.6 66.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.242 179.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.641 ' O ' HG23 ' C' ' 29' ' ' VAL . 37.4 m -61.21 -38.24 85.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.403 -179.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . 0.722 ' O ' HG23 ' C' ' 30' ' ' VAL . 30.9 t80 -69.43 -49.58 53.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.701 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -53.32 -52.25 59.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.952 -179.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -66.04 -49.11 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 29' ' ' VAL . . . . . 0.71 HG21 ' CZ ' ' D' ' 33' ' ' PHE . 66.5 t -62.52 -41.05 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.739 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.722 HG23 ' O ' ' C' ' 26' ' ' PHE . 58.2 t -70.28 -45.45 75.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.246 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -63.61 -45.57 89.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.993 0.425 . . . . 0.0 110.379 179.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -63.16 -46.74 85.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.17 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 33' ' ' PHE . . . . . 0.729 ' CZ ' HG21 ' D' ' 29' ' ' VAL . 5.0 t80 -67.34 -46.28 73.87 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 179.542 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 34' ' ' PHE . . . . . 0.52 ' CE1' ' CE2' ' C' ' 33' ' ' PHE . 35.1 m-85 -74.57 -33.15 62.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.64 -31.01 61.96 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.013 0.435 . . . . 0.0 110.831 178.585 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -61.95 -18.44 60.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.099 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.724 ' OD1' HG23 ' C' ' 39' ' ' VAL . 19.6 p30 -105.49 -21.56 13.19 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -179.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.66 14.87 1.85 Allowed Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.057 -1.068 . . . . 0.0 114.101 179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.724 HG23 ' OD1' ' C' ' 37' ' ' ASN . 26.6 t -89.64 143.23 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 117.362 0.581 . . . . 0.0 110.814 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -155.09 -177.62 6.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.154 -179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.64 -145.01 18.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.332 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -149.07 156.44 42.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -72.78 117.8 14.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 79.2 p -110.42 139.77 45.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.403 179.706 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.37 142.88 52.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.807 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.85 158.31 36.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.763 179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.58 130.4 43.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.549 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.8 142.19 29.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.835 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 3.4 m -139.45 156.4 46.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.444 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -127.62 123.88 36.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.065 0.459 . . . . 0.0 111.466 -179.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 24.0 m -106.73 134.14 50.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.261 179.652 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -80.91 117.96 21.99 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.677 0.275 . . . . 0.0 111.54 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 93.9 m -91.72 121.29 33.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.275 179.164 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . 0.418 HG12 ' N ' ' C' ' 55' ' ' THR . 6.5 t -70.94 156.88 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 0.0 111.065 -179.828 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 55' ' ' THR . . . . . 0.418 ' N ' HG12 ' C' ' 54' ' ' VAL . 90.9 m -148.28 -72.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.984 -179.978 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -90.0 123.78 34.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.591 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 3' ' ' TYR . . . . . 0.669 ' OH ' ' HB1' ' C' ' 23' ' ' ALA . 37.9 m-85 -110.33 132.34 54.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.444 0.64 . . . . 0.0 112.211 -179.558 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -106.47 126.28 52.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.768 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.32 121.56 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 28.3 mt -95.1 117.21 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.637 -179.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.447 HD13 ' HB2' ' D' ' 26' ' ' PHE . 0.4 OUTLIER -105.19 124.51 49.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.846 178.876 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -153.11 -64.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.943 0.402 . . . . 0.0 111.001 -179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.68 155.16 7.67 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.569 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -63.85 142.24 58.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.796 0.331 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 1.5 p -84.6 170.82 12.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.09 37.05 14.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.03 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.73 150.14 3.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.774 179.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.31 -52.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.634 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 60.17 -179.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.718 0.294 . . . . 0.0 110.793 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 16' ' ' THR . . . . . . . . . . . . . 27.6 m -89.16 78.94 7.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 10.0 p 55.88 -173.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.282 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 18' ' ' THR . . . . . . . . . . . . . 25.6 p 53.55 79.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.405 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -69.75 168.39 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.69 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.65 -42.69 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.299 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 21' ' ' VAL . . . . . 0.435 HG11 ' HA ' ' D' ' 7' ' ' LEU . 17.1 t -95.88 91.75 2.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.822 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.54 ' O ' ' HB ' ' D' ' 25' ' ' THR . 15.2 t70 -101.96 137.92 39.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.931 -178.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 23' ' ' ALA . . . . . 0.683 ' HB1' ' OH ' ' C' ' 3' ' ' TYR . . . -47.11 -41.77 17.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.215 179.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.73 -27.55 66.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 25' ' ' THR . . . . . 0.629 ' O ' HG23 ' D' ' 29' ' ' VAL . 36.9 m -61.27 -38.18 85.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.412 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 26' ' ' PHE . . . . . 0.708 ' O ' HG23 ' D' ' 30' ' ' VAL . 31.2 t80 -69.47 -49.54 53.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.687 178.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.36 -52.21 59.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.031 -179.235 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -66.09 -49.04 68.94 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 29' ' ' VAL . . . . . 0.729 HG21 ' CZ ' ' C' ' 33' ' ' PHE . 65.7 t -62.54 -41.07 90.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.708 HG23 ' O ' ' D' ' 26' ' ' PHE . 58.5 t -70.26 -45.61 74.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -63.47 -45.62 89.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.069 0.462 . . . . 0.0 110.47 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -62.97 -46.81 85.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.198 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 33' ' ' PHE . . . . . 0.71 ' CZ ' HG21 ' C' ' 29' ' ' VAL . 5.0 t80 -67.35 -46.43 73.42 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 34' ' ' PHE . . . . . 0.514 ' CE1' ' CE2' ' D' ' 33' ' ' PHE . 35.0 m-85 -74.63 -32.98 62.46 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.74 -31.01 62.15 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.765 178.551 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -61.99 -18.42 60.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.066 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 37' ' ' ASN . . . . . 0.713 ' OD1' HG23 ' D' ' 39' ' ' VAL . 19.8 p30 -105.6 -21.33 13.22 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -179.466 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 130.45 15.07 1.86 Allowed Glycine 0 CA--C 1.52 0.379 0 C-N-CA 120.065 -1.064 . . . . 0.0 114.131 179.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.713 HG23 ' OD1' ' D' ' 37' ' ' ASN . 26.8 t -89.78 143.18 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 117.36 0.58 . . . . 0.0 110.809 179.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -155.05 -177.59 6.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 111.106 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . 117.67 -145.07 18.48 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.342 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -149.17 156.44 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -72.74 117.76 14.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.247 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 80.2 p -110.37 139.64 45.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.438 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 45' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -70.29 142.73 52.22 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.806 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.79 158.27 36.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.58 130.29 42.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.82 142.24 29.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.816 -179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 3.3 m -139.59 156.38 46.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.458 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 35.7 mtmt -127.56 123.98 37.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.057 0.456 . . . . 0.0 111.532 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 24.1 m -106.77 134.08 50.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.206 179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -80.94 118.08 22.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.482 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 53' ' ' THR . . . . . . . . . . . . . 94.4 m -91.78 121.32 33.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.275 179.18 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.417 HG12 ' N ' ' D' ' 55' ' ' THR . 6.4 t -71.0 156.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 111.018 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 55' ' ' THR . . . . . 0.417 ' N ' HG12 ' D' ' 54' ' ' VAL . 91.3 m -148.23 -72.19 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.883 -179.895 . . . . . . . . 0 0 . 1 stop_ save_